Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL4779658 | 0.84 | MEN1 (0.47) | ALDH1A1MEN1KMT2ATSHRTAAR1 | |
| SCHEMBL5165930 | 0.83 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2ATSHRTAAR1 | |
| SCHEMBL5610695 | 0.81 | MEN1 (0.44) | ALDH1A1MEN1KMT2ATSHRTAAR1 | |
| SCHEMBL578043 | 0.79 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2ATSHRHPGD | |
| SCHEMBL25388605 | 0.79 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2ATSHRTUBB1 | |
| SCHEMBL13859482 | 0.79 | TDP1 (0.46) | ALDH1A1MEN1KMT2AHPGDPOLB | |
| SCHEMBL577619 | 0.78 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2ATSHRTUBB1 | |
| SCHEMBL16794991 | 0.77 | HTR2A (0.45) | ALDH1A1KMT2ATAAR1L3MBTL1 | |
| SCHEMBL2689127 | 0.75 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2ATSHRHPGD | |
| SCHEMBL30536248 | 0.75 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2ATSHRHPGD |
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-1765760-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006002802-A1 | PHENYL DERIVATIVES COMPRISING AN ACETYLENE GROUP | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-12 | — | — | WO | disclosed |