Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | XBP1 | P17861 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 7/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GRM6 | O15303 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5738434 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL11300000 | 0.78 | ALDH1A1 (0.65) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL5737293 | 0.75 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL5206974 | 0.74 | ALDH1A1 (0.54) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL6346608 | 0.73 | RAB9A (0.55) | ALDH1A1PDE3BPDE3ATP53MAPT | |
| SCHEMBL7671532 | 0.73 | HTR6 (0.68) | ALDH1A1HPGDTP53HTR6MAPT | |
| SCHEMBL5738353 | 0.73 | ALDH1A1 (0.42) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL2956667 | 0.73 | ALDH1A1 (0.73) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL5204639 | 0.73 | ALDH1A1 (0.53) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL8538896 | 0.72 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1682530-A1 | SUBSTITUTED PYRROLE-INDOLES AS INHIBITORS OF PAI-1 | Wyeth (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005030756-A1 | SUBSTITUTED PYRROLE-INDOLES AS INHIBITORS OF PAI-1 | WYETH (US) | 2005-04-07 | — | — | WO | disclosed |