Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | GLS | O94925 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CASP2 | P42575 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1462200 | 1.00 | ALDH1A1 (0.66) | ALDH1A1CYP3A4TSHRHSD17B10GLS | |
| SCHEMBL30610393 | 1.00 | ALDH1A1 (0.66) | ALDH1A1CYP3A4TSHRHSD17B10GLS | |
| SCHEMBL1461694 | 1.00 | ALDH1A1 (0.66) | ALDH1A1CYP3A4TSHRHSD17B10GLS | |
| SCHEMBL28130578 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CYP3A4MAPK1LMNAMAPT | |
| SCHEMBL493954 | 0.84 | ALDH1A1 (0.70) | ALDH1A1CYP3A4TSHRHSD17B10GLS | |
| SCHEMBL12175042 | 0.84 | ALDH1A1 (0.70) | ALDH1A1CYP3A4TSHRHSD17B10GLS | |
| SCHEMBL1286155 | 0.84 | ALDH1A1 (0.70) | ALDH1A1CYP3A4TSHRHSD17B10GLS | |
| SCHEMBL12175072 | 0.84 | ALDH1A1 (0.70) | ALDH1A1CYP3A4TSHRHSD17B10GLS | |
| SCHEMBL10299137 | 0.84 | ALDH1A1 (0.70) | ALDH1A1CYP3A4TSHRHSD17B10GLS | |
| SCHEMBL628737 | 0.84 | ALDH1A1 (0.70) | ALDH1A1CYP3A4TSHRHSD17B10GLS |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050154051-A1 | Method for the preparation of escitalopram | H. LUNDBECK A/S (DK) | 2005-07-14 | — | — | US | claimed |
| EP-1458701-A1 | METHOD FOR THE PREPARATION OF ESCITALOPRAM | H. Lundbeck A/S (DK) | 2004-09-22 | — | — | EP | claimed |
| WO-2003051861-A1 | METHOD FOR THE PREPARATION OF ESCITALOPRAM | H. LUNDBECK A/S (DK) | 2003-06-26 | — | — | WO | claimed |
| US-9938267-B2 | Heterocyclic inhibitors of glutaminase | CALITHERA BIOSCIENCES, INC. (US) | 2018-04-10 | — | — | US | disclosed |
| US-9938267-B2 | Heterocyclic inhibitors of glutaminase | CALITHERA BIOSCIENCES, INC. (US) | 2018-04-10 | — | — | US | disclosed |
| US-20170369485-A1 | HETEROCYCLIC INHIBITORS OF GLUTAMINASE | SYNHALE THERAPEUTICS INC. | 2017-12-28 | — | — | US | disclosed |
| US-20140050699-A1 | HETEROCYCLIC INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES INC. (US) | 2014-02-20 | — | — | US | disclosed |
| US-20140050699-A1 | HETEROCYCLIC INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES INC. (US) | 2014-02-20 | — | — | US | disclosed |
| US-20140045836-A1 | [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2014-02-13 | — | — | US | disclosed |
| US-8580783-B2 | [1,2,4]triazolo [1,5-c]pyrimidine derivatives as Hsp90 modulators | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2013-11-12 | — | — | US | disclosed |
| US-20120184546-A1 | [1,2,4]TRIAZOLO [1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS | NERVIANO MEDICAL SCIENCES S.R.L (IT) | 2012-07-19 | — | — | US | disclosed |
| EP-2475665-A1 | [1,2,4]TRIAZOLO [1,5-c]PYRIMIDINE DERIVATIVES AS Hsup90 MODULATORS | Nerviano Medical Sciences S.r.l. (IT) | 2012-07-18 | — | — | EP | disclosed |
| WO-2011029775-A1 | [1,2,4]TRIAZOLO [1,5-c]PYRIMIDINE DERIVATIVES AS Hsup90 MODULATORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2011-03-17 | — | — | WO | disclosed |
| US-20050154051-A1 | Method for the preparation of escitalopram | H. LUNDBECK A/S (DK) | 2005-07-14 | — | — | US | disclosed |
| EP-1458701-A1 | METHOD FOR THE PREPARATION OF ESCITALOPRAM | H. Lundbeck A/S (DK) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003051861-A1 | METHOD FOR THE PREPARATION OF ESCITALOPRAM | H. LUNDBECK A/S (DK) | 2003-06-26 | — | — | WO | disclosed |
| EP-0783490-B1 | 1-ACYL-4-ALIPHATIC AMINOPIPERIDINE COMPOUNDS | NOVARTIS AG (CH) | 2002-02-06 | — | — | EP | disclosed |
| EP-0768303-A1 | OPTICALLY ACTIVE QUINOLINECARBOXYLIC ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1997-04-16 | — | — | EP | disclosed |
| US-4845091-A | HYPOTENSIVE AGENTS, VASCULAR DISORDERS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1989-07-04 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140050699-A1 | HETEROCYCLIC INHIBITORS OF GLUTAMINASE | GLS, GLS2, GLUL | ALDH1A1 639/4885CYP3A4 1479/4885TSHR 3065/4885 |
| US-20140045836-A1 | [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS | HSP90AB1, HSP90AA1, HSP90AB2P | ALDH1A1 1300/4885CYP3A4 3823/4885TSHR 4167/4885 |
| US-20170369485-A1 | HETEROCYCLIC INHIBITORS OF GLUTAMINASE | GLS, GLS2, GLUL | ALDH1A1 639/4885CYP3A4 1479/4885TSHR 3065/4885 |
| US-20050154051-A1 | Method for the preparation of escitalopram | SLC6A4, TPH2, SLC6A3 | ALDH1A1 225/4885CYP3A4 36/4885TSHR 3401/4885 |
| US-20120184546-A1 | [1,2,4]TRIAZOLO [1,5-C]PYRIMIDINE DERIVATIVES AS HSP90 MODULATORS | HSP90AB1, HSP90AA1, HSP90AB2P | ALDH1A1 848/4885CYP3A4 3646/4885TSHR 3951/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.