Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6690856 | 0.96 | ALDH1A1 (0.50) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL6690094 | 0.94 | ALDH1A1 (0.49) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL6697515 | 0.91 | ALDH1A1 (0.54) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL6682672 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL6692873 | 0.84 | ALDH1A1 (0.56) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL6682165 | 0.83 | NPSR1 (0.46) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL22301347 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL6702166 | 0.82 | MAPT (0.45) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL6696703 | 0.81 | PTPN2 (0.49) | ALDH1A1HSP90AA1MAPTHTTNPSR1 | |
| SCHEMBL6690776 | 0.81 | FFAR1 (0.66) | ALDH1A1HSP90AA1MAPTHTTNPSR1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8394829-B2 | Bi-functional quinoline analogs | GILEAD SCIENCES, INC. (US) | 2013-03-12 | — | — | US | disclosed |
| US-8394829-B2 | Bi-functional quinoline analogs | GILEAD SCIENCES, INC. (US) | 2013-03-12 | — | — | US | disclosed |
| US-20130012504-A1 | BI-FUNCTIONAL QUINOLINE ANALOGS | GILEAD SCIENCES, INC (US) | 2013-01-10 | — | — | US | disclosed |
| US-20130012504-A1 | BI-FUNCTIONAL QUINOLINE ANALOGS | GILEAD SCIENCES, INC (US) | 2013-01-10 | — | — | US | disclosed |
| WO-2011143105-A1 | BIFUNCTIONAL QUINOLINE DERIVATIVES | GILEAD SCIENCES, INC. (US) | 2011-11-17 | — | — | WO | disclosed |
| US-20110275622-A1 | BI-FUNCTIONAL QUINOLINE ANALOGS | GILEAD SCIENCES, INC. (US) | 2011-11-10 | — | — | US | disclosed |
| US-20110275622-A1 | BI-FUNCTIONAL QUINOLINE ANALOGS | GILEAD SCIENCES, INC. (US) | 2011-11-10 | — | — | US | disclosed |
| WO-2004106291-A1 | HALOETHYL UREA COMPOUNDS AND THE USE THEREOF TO ATTENUATE, INHIBIT OR PREVENT CANCER CELL MIGRATION | IMOTEP INC. (CA) | 2004-12-09 | — | — | WO | disclosed |
| WO-2004106292-A1 | HALOETHYL UREA COMPOUNDS AND THEIR USE TO ATTENUATE, INHIBIT OR PREVENT NON-CANCEROUS PATHOGENIC CELLULAR PROLIFERATION AND DISEASES ASSOCIATED THEREWITH | IMOTEP INC. (CA) | 2004-12-09 | — | — | WO | 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 (2 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-20110275622-A1 | BI-FUNCTIONAL QUINOLINE ANALOGS | BDKRB2, BDKRB1, MRGPRX2 | ALDH1A1 1618/4885HSP90AA1 3736/4885MAPT 3469/4885 |
| US-20130012504-A1 | BI-FUNCTIONAL QUINOLINE ANALOGS | BDKRB2, BDKRB1, HRH2 | ALDH1A1 1304/4885HSP90AA1 3693/4885MAPT 3269/4885 |
“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.