Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.42 |
| ▸ | 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 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SLC5A1 | P13866 | 3/20 | 0.38 |
| ▸ | SLC5A2 | P31639 | 3/20 | 0.38 |
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 | 0.92 | ALDH1A1 (0.47) | ESR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7362233 | 0.83 | ALDH1A1 (0.47) | ESR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7353853 | 0.82 | ALDH1A1 (0.48) | ESR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7354262 | 0.80 | PTGS1 (0.42) | ESR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7361844 | 0.78 | ALDH1A1 (0.46) | ESR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7357973 | 0.77 | ALDH1A1 (0.41) | ESR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7358998 | 0.72 | USP14 (0.40) | ALOX15MAPTPOLBALDH1A1GAA | |
| SCHEMBL7358416 | 0.71 | PLA2G4A (0.38) | FFAR1ALDH1A1FFAR4RAB9AKDM4E | |
| SCHEMBL7357018 | 0.69 | ALOX15 (0.43) | ESR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7357066 | 0.68 | KDM4E (0.42) | MAPTALDH1A1RAB9AKDM4EGAA |
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 |