Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | S100B | P04271 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6982671 | 0.98 | BRD9 (0.47) | BRD9ALDH1A1HPGDAKR1C3KMT2A | |
| Hydrochloric Acid SCHEMBL18955263 | 0.97 | BRD9 (0.46) | BRD9ALDH1A1HPGDAKR1C3KMT2A | |
| SCHEMBL6523537 | 0.94 | ALDH1A1 (0.50) | BRD9ALDH1A1HPGDAKR1C3KMT2A | |
| SCHEMBL6985580 | 0.85 | BRD9 (0.49) | BRD9ALDH1A1HPGDAKR1C3KMT2A | |
| SCHEMBL16178892 | 0.81 | BRD9 (0.46) | BRD9ALDH1A1HPGDAKR1C3KMT2A | |
| Hydrochloric Acid SCHEMBL12493709 | 0.80 | PPOX (0.55) | BRD9ALDH1A1HPGDAKR1C3KMT2A | |
| SCHEMBL76032 | 0.79 | BRD9 (0.57) | BRD9ALDH1A1HPGDAKR1C3KMT2A | |
| SCHEMBL6330306 | 0.78 | IDO1 (0.56) | BRD9ALDH1A1HPGDAKR1C3TSHR | |
| SCHEMBL15157023 | 0.78 | ALDH1A1 (0.54) | BRD9ALDH1A1HPGDAKR1C3KMT2A | |
| SCHEMBL5421060 | 0.78 | BRD9 (0.46) | BRD9ALDH1A1HPGDAKR1C3KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1337251-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002102380-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-12-27 | — | — | WO | disclosed |