Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.71 |
| ▸ | BCAT2 | O15382 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | KDR | P35968 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | F2R | P25116 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6271944 | 0.90 | ALDH1A1 (0.68) | ALDH1A1ADRB2BCAT2CYP3A4CYP2C19 | |
| SCHEMBL3744047 | 0.89 | ALDH1A1 (0.66) | ALDH1A1ADRB2BCAT2CYP3A4CYP2C19 | |
| SCHEMBL19259498 | 0.88 | BCAT2 (0.72) | ALDH1A1ADRB2BCAT2CYP3A4CYP2C19 | |
| SCHEMBL1072315 | 0.85 | ALDH1A1 (0.73) | ALDH1A1ADRB2BCAT2CYP3A4CYP2C19 | |
| SCHEMBL7380269 | 0.81 | ALDH1A1 (0.64) | ALDH1A1ADRB2BCAT2CYP3A4CYP2C19 | |
| SCHEMBL16088715 | 0.81 | BCAT2 (0.71) | ALDH1A1ADRB2BCAT2KDRKDM4E | |
| SCHEMBL1193435 | 0.81 | BCAT2 (0.72) | ALDH1A1ADRB2BCAT2CYP3A4CYP2C19 | |
| SCHEMBL22027924 | 0.81 | L3MBTL1 (0.54) | ALDH1A1ADRB2KDRLMNAHPGD | |
| SCHEMBL30286812 | 0.81 | CTSD (0.51) | ALDH1A1ADRB2CYP3A4CYP2C19CYP1A2 | |
| SCHEMBL13705878 | 0.81 | GAA (0.52) | ALDH1A1ADRB2KDRKDM4ELMNA |
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-1866311-A2 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2007-12-19 | — | — | EP | disclosed |
| WO-2006104889-A2 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2006-10-05 | — | — | WO | disclosed |