Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 6/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PLAAT3 | P53816 | 4/20 | 0.40 |
| ▸ | PLAAT5 | Q96KN8 | 4/20 | 0.40 |
| ▸ | PLAAT2 | Q9NWW9 | 4/20 | 0.40 |
| ▸ | PLAAT4 | Q9UL19 | 4/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4351442 | 0.82 | CA1 (0.45) | CA1CA2HSD17B2NPC1RAB9A | |
| SCHEMBL4358550 | 0.80 | EPHX2 (0.39) | CA1CA2TRPV1L3MBTL1PTGS2 | |
| SCHEMBL4356059 | 0.80 | NPC1 (0.50) | CA1CA2HSD17B2NPC1RAB9A | |
| SCHEMBL4349377 | 0.80 | EGFR (0.41) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL4350885 | 0.80 | NPC1 (0.42) | NPC1RAB9AKDM4EMAPTALDH1A1 | |
| SCHEMBL4346980 | 0.78 | CA2 (0.48) | CA1CA2HSD17B2NPC1RAB9A | |
| SCHEMBL4344569 | 0.77 | LMNA (0.41) | CA1CA2HSD17B2NPC1RAB9A | |
| SCHEMBL4350095 | 0.77 | MAPT (0.46) | CA2NPC1RAB9ATRPV1SMN1; SMN2 | |
| SCHEMBL4345395 | 0.76 | CA1 (0.49) | CA1CA2HSD17B2NPC1RAB9A | |
| SCHEMBL4341271 | 0.75 | NPC1 (0.52) | CA1CA2HSD17B2NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110065760-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF | JERINI AG (DE) | 2011-03-17 | — | — | US | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| US-20070054904-A1 | Phenol derivatives and their use as rotamase inhibitors | JERINI AG (DE) | 2007-03-08 | — | — | US | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | 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-20110065760-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF | NR1I3, NR1D1, NR1D2 | CA1 374/4885CA2 2053/4885HSD17B2 246/4885 |
| US-20070054904-A1 | Phenol derivatives and their use as rotamase inhibitors | NR1I3, NR1D1, NR1D2 | CA1 532/4885CA2 1651/4885HSD17B2 294/4885 |
“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.