Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | XBP1 | P17861 | 1/20 | 0.50 |
| ▸ | CSF1R | P07333 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | STAT6 | P42226 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8615483 | 0.93 | ALDH1A1 (0.41) | ALDH1A1HPGDCYP1A2CYP2C19XBP1 | |
| SCHEMBL8545415 | 0.92 | ALDH1A1 (0.42) | ALDH1A1HPGDCYP1A2CYP2C19XBP1 | |
| SCHEMBL8545195 | 0.88 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP1A2CYP2C19XBP1 | |
| SCHEMBL8540650 | 0.87 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP1A2CYP2C19XBP1 | |
| SCHEMBL8545522 | 0.83 | ALDH1A1 (0.42) | ALDH1A1HPGDCYP1A2CYP2C19XBP1 | |
| SCHEMBL8547017 | 0.82 | ALDH1A1 (0.43) | ALDH1A1HPGDCYP1A2CYP2C19XBP1 | |
| SCHEMBL8545914 | 0.79 | MAP2 (0.37) | — | |
| SCHEMBL8542707 | 0.78 | KDM4E (0.38) | ALDH1A1HPGDKMT2AMEN1KDM4E | |
| SCHEMBL7462845 | 0.77 | ALOX5 (0.49) | ALDH1A1HPGDCYP1A2CYP2C19KMT2A | |
| SCHEMBL8541745 | 0.75 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP1A2CYP2C19XBP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0800389-A4 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 1998-04-29 | — | — | EP | disclosed |
| EP-0800389-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-10-15 | — | — | EP | disclosed |
| WO-1996018393-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-06-20 | — | — | WO | disclosed |