Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.40 |
| ▸ | ALDH3A1 | P30838 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 4/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2098999 | 0.84 | CYP2A6 (0.44) | CYP2A6CYP2A13ALDH1A3ALDH3A1ALDH1A1 | |
| SCHEMBL6500670 | 0.78 | APP (0.48) | ALDH1A1AKR1C3AKR1C2TSHRAPP | |
| SCHEMBL6500667 | 0.78 | APP (0.48) | ALDH1A1AKR1C3AKR1C2TSHRAPP | |
| SCHEMBL472408 | 0.77 | KIF11 (0.56) | KIF11CYP2A6ALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL27694001 | 0.77 | CYP2A6 (0.52) | CYP2A6CYP2A13ALDH1A3ALDH3A1ALDH1A1 | |
| SCHEMBL24818962 | 0.76 | ERN1 (0.39) | KIF11CYP2A6CYP2A13AKR1C3AKR1C2 | |
| SCHEMBL3186339 | 0.76 | CYP2A6 (0.47) | KIF11CYP2A6CYP2A13ALDH1A3ALDH3A1 | |
| SCHEMBL1769710 | 0.76 | KIF11 (0.47) | KIF11NOTUMCYP2A6ALDH1A3ALDH1A1 | |
| SCHEMBL6855509 | 0.75 | KIF11 (0.50) | KIF11CYP2A6ALDH1A3ALDH1A1AKR1C3 | |
| SCHEMBL28818187 | 0.75 | KIF11 (0.41) | KIF11CYP2A6CYP2A13ALDH1A3AKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |