Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.67 |
| ▸ | MYC | P01106 | 1/20 | 0.57 |
| ▸ | CDC25B | P30305 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CDC25A | P30304 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8605058 | 0.94 | AKR1C3 (0.64) | AKR1C3MYCCDC25BATMGAA | |
| SCHEMBL144047 | 0.90 | AKR1C3 (0.76) | AKR1C3MYCCDC25BATMGAA | |
| SCHEMBL30978151 | 0.90 | AKR1C3 (0.76) | AKR1C3MYCCDC25BATMGAA | |
| Hydrochloric Acid SCHEMBL10626938 | 0.88 | AKR1C3 (0.73) | AKR1C3MYCCDC25BATMGAA | |
| SCHEMBL857849 | 0.85 | AKR1C3 (0.67) | AKR1C3MYCCDC25BATMGAA | |
| SCHEMBL28533570 | 0.85 | ALDH1A1 (0.68) | AKR1C3CDC25BATMGAAMAPT | |
| SCHEMBL11443685 | 0.85 | ALDH1A1 (0.68) | AKR1C3CDC25BATMGAAMAPT | |
| SCHEMBL31432550 | 0.83 | AKR1C3 (0.72) | AKR1C3MYCCDC25BATMGAA | |
| SCHEMBL425272 | 0.83 | AKR1C3 (0.65) | AKR1C3MYCCDC25BATMGAA | |
| SCHEMBL9774810 | 0.83 | AKR1C3 (0.64) | AKR1C3MYCCDC25BATMGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-4235787-A | ISOMERIC MIXTURE; CROSSLINKING WITH EPONS\ | GULF RESEARCH & DEVELOPMENT COMPANY (US) | 1980-11-25 | — | — | US | disclosed |