Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.30 |
| ▸ | QPCT | Q16769 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18500656 | 0.72 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C9PTK2MAOA | |
| SCHEMBL3272205 | 0.71 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9MAOAMAOB | |
| SCHEMBL20627766 | 0.70 | NPC1 (0.41) | ALDH1A1LMNARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL25442765 | 0.69 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9PTK2MAOA | |
| SCHEMBL25442241 | 0.69 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9PTK2MAOA | |
| SCHEMBL22478364 | 0.68 | LMNA (0.45) | CYP2D6CYP2C9PTK2ALDH1A1LMNA | |
| SCHEMBL8391282 | 0.68 | LMNA (0.55) | CYP3A4CYP2D6LMNAMEN1KMT2A | |
| SCHEMBL26662266 | 0.68 | MAOA (0.43) | CYP3A4CYP2D6CYP2C9PTK2MAOA | |
| SCHEMBL10134015 | 0.68 | MKNK1 (0.56) | PTK2ALDH1A1LIMK1 | |
| SCHEMBL469386 | 0.67 | ALDH1A1 (0.72) | ALDH1A1LMNARAB9ANPC1SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999032454-A9 | NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS | DU PONT PHARM CO (US) | 2001-05-31 | — | — | WO | disclosed |