Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6799397 | 0.90 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2CYP2D6CYP3A4 | |
| SCHEMBL27598331 | 0.85 | KMT2A (0.44) | NPC1RAB9ASMN1; SMN2CYP2D6CYP3A4 | |
| SCHEMBL6799269 | 0.77 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2KMT2AGAA | |
| SCHEMBL27581109 | 0.76 | KMT2A (0.47) | NPC1RAB9ASMN1; SMN2CYP2D6CYP3A4 | |
| SCHEMBL14377679 | 0.74 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2CYP2D6CYP3A4 | |
| SCHEMBL6806011 | 0.74 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2CYP2D6CYP3A4 | |
| SCHEMBL27598332 | 0.71 | CYP3A4 (0.38) | NPC1RAB9ASMN1; SMN2CYP2D6CYP3A4 | |
| SCHEMBL6801797 | 0.70 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2KMT2AGAA | |
| SCHEMBL23512395 | 0.69 | CYP2D6 (0.57) | NPC1RAB9ASMN1; SMN2CYP2D6CYP3A4 | |
| SCHEMBL23512810 | 0.69 | CYP2D6 (0.57) | NPC1RAB9ASMN1; SMN2CYP2D6CYP3A4 |
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-20040043994-A1 | Gem-substituted alpha v beta 3 antagonists | PHARMACIA CORPORATION | 2004-03-04 | — | — | US | disclosed |
| EP-1313705-A1 | GEM-SUBSTITUTED ALPHA V BETA 3 INTEGRIN ANTAGONISTS | Pharmacia Corporation (US) | 2003-05-28 | — | — | EP | disclosed |
| US-6531494-B1 | Gem-substituted αvβ3 antagonists | PHARMACIA CORPORATION | 2003-03-11 | — | — | US | disclosed |
| WO-2002018340-A1 | GEM-SUBSTITUTED α v β 3 INTEGRIN ANTAGONISTS | PHARMACIA CORPORATION (US) | 2002-03-07 | — | — | 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 (1 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-20040043994-A1 | Gem-substituted alpha v beta 3 antagonists | CACNG5, ITGAV, ITGA5 | NPC1 1901/4885RAB9A 542/4885SMN1; SMN2 1777/4885 |
“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.