Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KIF20A | O95235 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.37 |
| ▸ | SLC5A2 | P31639 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7424087 | 0.91 | ALDH1A1 (0.47) | ALDH1A1ESR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7353853 | 0.89 | ALDH1A1 (0.48) | ALDH1A1ESR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7350830 | 0.83 | TUBB1 (0.42) | ALDH1A1ESR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7357973 | 0.82 | ALDH1A1 (0.41) | ALDH1A1ESR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7361844 | 0.82 | ALDH1A1 (0.46) | ALDH1A1ESR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7358998 | 0.76 | USP14 (0.40) | ALDH1A1MAPTGAAPOLB | |
| SCHEMBL7349809 | 0.75 | ALDH1A1 (0.38) | ALDH1A1ESR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7352839 | 0.75 | ALDH1A1 (0.36) | ALDH1A1MAPTGAAPOLBKIF20A | |
| SCHEMBL7354929 | 0.74 | ALDH1A1 (0.35) | ALDH1A1ESR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7354262 | 0.73 | PTGS1 (0.42) | ALDH1A1ESR1CYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999028297-A1 | SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-06-10 | — | — | WO | disclosed |