Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 14/20 | 0.69 |
| ▸ | RAB9A | P51151 | 14/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 11/20 | 0.69 |
| ▸ | TP53 | P04637 | 7/20 | 0.69 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.69 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.56 |
| ▸ | METAP2 | P50579 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | METAP1 | P53582 | 2/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3140719 | 0.82 | RAB9A (1.00) | NPC1RAB9ASMN1; SMN2TP53ALOX15 | |
| SCHEMBL28427886 | 0.81 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2TP53ALOX15 | |
| SCHEMBL11858858 | 0.81 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2TP53ALOX15 | |
| SCHEMBL9457146 | 0.81 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2TP53ALOX15 | |
| SCHEMBL32665693 | 0.78 | KDM4E (0.78) | NPC1RAB9ASMN1; SMN2TP53ALOX15 | |
| SCHEMBL32665695 | 0.77 | KDM4E (0.76) | NPC1RAB9ASMN1; SMN2TP53ALOX15 | |
| SCHEMBL5879554 | 0.77 | SMN1; SMN2 (0.68) | NPC1RAB9ASMN1; SMN2TP53ALOX15 | |
| SCHEMBL32665696 | 0.77 | KDM4E (0.76) | NPC1RAB9ASMN1; SMN2TP53ALOX15 | |
| SCHEMBL172216 | 0.74 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2TP53ALOX15 | |
| SCHEMBL30561047 | 0.74 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2TP53ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1202988-A2 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001010847-A2 | NOVEL INTEGRIN RECEPTOR ANTAGONISTS | BASF AKTIENGESELLSCHAFT (DE) | 2001-02-15 | — | — | WO | disclosed |