Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.75 |
| ▸ | TYMS | P04818 | 3/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.75 |
| ▸ | MEN1 | O00255 | 1/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.75 |
| ▸ | POLB | P06746 | 1/20 | 0.75 |
| ▸ | GAA | P10253 | 1/20 | 0.75 |
| ▸ | HPGD | P15428 | 1/20 | 0.75 |
| ▸ | TSHR | P16473 | 1/20 | 0.75 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.75 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.75 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.75 |
| ▸ | DHFR | P00374 | 5/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | GART | P22102 | 2/20 | 0.50 |
| ▸ | ATIC | P31939 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29401643 | 0.90 | TYMS (0.77) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| Pyrophosphoric Acid SCHEMBL30002402 | 0.89 | TYMS (0.74) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL29907321 | 0.88 | AKR1B1 (0.82) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL30078340 | 0.88 | TYMS (0.82) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL30046144 | 0.88 | TYMS (0.81) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL2759224 | 0.88 | TYMS (0.81) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL17920172 | 0.88 | TYMS (0.81) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL410496 | 0.88 | TYMS (0.81) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL470145 | 0.87 | AKR1B1 (0.81) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL10173120 | 0.87 | AKR1B1 (0.81) | AKR1B1TYMSKDM4EMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4087580-A1 | TARGETED STEROID COMPOUNDS | Purdue Research Foundation (US) | 2022-11-16 | — | — | EP | disclosed |