Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5604408 | 0.75 | KDM4E (0.38) | ALDH1A1KDM4EMAPTGAAPOLB | |
| SCHEMBL8824231 | 0.73 | ALDH1A1 (0.54) | ALDH1A1KDM4EMAPTTDP1GAA | |
| SCHEMBL2916785 | 0.71 | ESR1 (0.41) | MAPTGAANSD2CYP2C9ESR1 | |
| Water SCHEMBL28244755 | 0.69 | ESR1 (0.48) | ALDH1A1HPGDPOLBESR1HTT | |
| SCHEMBL5605424 | 0.69 | KCNA5 (0.44) | ALDH1A1MAPTLMNAHTTTSHR | |
| SCHEMBL450584 | 0.69 | ESR1 (0.52) | ALDH1A1HPGDPOLBESR1HTT | |
| SCHEMBL415688 | 0.67 | ESR1 (0.50) | ALDH1A1HPGDPOLBESR1HTT | |
| SCHEMBL11322994 | 0.67 | ESR1 (0.50) | ALDH1A1HPGDPOLBESR1HTT | |
| SCHEMBL11308673 | 0.67 | ESR1 (0.50) | ALDH1A1HPGDPOLBESR1HTT | |
| SCHEMBL378351 | 0.67 | ESR1 (0.50) | ALDH1A1HPGDPOLBESR1HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-6262113-B1 | HYDROXY- OR MERCAPTO-PHENYLUREAS | SMITHKLINE BEECHAM CORPORATION | 2001-07-17 | — | — | US | disclosed |
| US-6005008-A | IL-8 receptor antagonists | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-21 | — | — | US | disclosed |