Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | KDR | P35968 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 5/20 | 0.57 |
| ▸ | RAB9A | P51151 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1206039 | 0.88 | KDR (0.57) | KDRNPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL4743832 | 0.88 | CA2 (0.67) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL17976484 | 0.87 | CFD (0.60) | TSHRNPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL2747411 | 0.85 | DDX3X (0.65) | KDRNPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL2831462 | 0.84 | NPC1 (0.77) | NPC1RAB9ASMN1; SMN2POLBMAOB | |
| SCHEMBL17976250 | 0.83 | MAPT (0.50) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL1205996 | 0.82 | NPC1 (0.58) | TSHRKDRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2704691 | 0.82 | MAPT (0.66) | KDRNPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL20804368 | 0.82 | NPC1 (0.65) | KDRNPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL5879548 | 0.82 | CYP1A2 (0.76) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 |
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-7105508-B1 | Integrin receptors antagonists | ABBOTT GMBH & CO. KG (DE) | 2006-09-12 | — | — | US | disclosed |
| CN-1374960-A | novel integrin receptor antagonists | BASF AG (DE) | 2002-10-16 | — | — | CN | 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 |