Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | ELANE | P08246 | 5/20 | 0.51 |
| ▸ | TOP1 | P11387 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | STS | P08842 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28887097 | 0.86 | ALDH1A1 (0.71) | TSHRALDH1A1GAAKDM4ERAB9A | |
| SCHEMBL11103835 | 0.78 | ELANE (0.50) | ELANECYP1A2CYP2C19CYP2D6HPGD | |
| SCHEMBL11108746 | 0.77 | ELANE (0.59) | TSHRALDH1A1GAAKDM4ERAB9A | |
| SCHEMBL11103544 | 0.77 | PTGS2 (0.71) | ALDH1A1KDM4EELANECYP1A2CYP2C19 | |
| SCHEMBL11103539 | 0.77 | PTGS2 (0.71) | ALDH1A1KDM4EELANECYP1A2CYP2C19 | |
| SCHEMBL11135909 | 0.76 | CFD (0.63) | TSHRALDH1A1GAAKDM4ERAB9A | |
| SCHEMBL29370741 | 0.75 | CYP1A2 (0.60) | TSHRALDH1A1GAARAB9ACYP1A2 | |
| SCHEMBL11106977 | 0.75 | ELANE (0.65) | ALDH1A1ELANECYP1A2CYP2C19CYP2D6 | |
| SCHEMBL10295999 | 0.75 | STS (0.69) | ALDH1A1GAAELANESTS | |
| SCHEMBL8456235 | 0.75 | ATM (0.55) | TSHRALDH1A1GAAKDM4ERAB9A |
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-4317920-A | ANTIRHEUMATIC AGENTS, ANTIINFLAMMATORY AGENTS | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1982-03-02 | — | — | US | claimed |