Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | EDNRA | P25101 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7332440 | 0.82 | CYP3A4 (0.53) | RAB9ACYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10818715 | 0.81 | RAB9A (0.43) | RAB9ACYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10817593 | 0.81 | RAB9A (0.43) | RAB9ACYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4996294 | 0.79 | EDNRA (0.54) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6991108 | 0.77 | EDNRA (0.51) | RAB9ACYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28498545 | 0.76 | RAB9A (0.48) | RAB9ACYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL7333176 | 0.75 | MAPK9 (0.55) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11698582 | 0.75 | RAB9A (0.54) | RAB9ACYP1A2CYP2D6KMT2AGAA | |
| SCHEMBL14200154 | 0.74 | CYP3A4 (0.49) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL5356165 | 0.73 | MEN1 (0.46) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5668176-A | ENDOTHELIN ANTAGONIST | MERCK & CO. INC. (US) | 1997-09-16 | — | — | US | disclosed |
| US-5565485-A | TREATING CARDIOVASCULAR DISORDERS | MERCK & CO., INC. (US) | 1996-10-15 | — | — | US | disclosed |