Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 14/20 | 0.63 |
| ▸ | RAB9A | P51151 | 14/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 13/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.63 |
| ▸ | HPGD | P15428 | 10/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.63 |
| ▸ | TP53 | P04637 | 7/20 | 0.63 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.63 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.63 |
| ▸ | RELA | Q04206 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.53 |
| ▸ | PKM | P14618 | 4/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12543424 | 0.84 | NPC1 (0.80) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL3336113 | 0.78 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL23566014 | 0.76 | KDM4E (0.69) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL5879594 | 0.74 | SMN1; SMN2 (0.54) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL30634854 | 0.72 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL30561047 | 0.72 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL172216 | 0.72 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL12713528 | 0.71 | RAB9A (0.60) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| Water SCHEMBL9817804 | 0.70 | NPC1 (0.95) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL5023990 | 0.70 | NPC1 (0.68) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7105508-B1 | Integrin receptors antagonists | ABBOTT GMBH & CO. KG (DE) | 2006-09-12 | — | — | US | disclosed |
| 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 |