Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | BCL2 | P10415 | 3/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6203813 | 0.84 | ALDH1A1 (0.65) | ALDH1A1MAPTTSHRMAPK1KMT2A | |
| SCHEMBL4602398 | 0.80 | HPGD (0.72) | ALDH1A1MAPTTSHRMAPK1KMT2A | |
| SCHEMBL18812035 | 0.79 | MAPT (0.53) | ALDH1A1MAPTTSHRMAPK1KMT2A | |
| SCHEMBL1534312 | 0.79 | KMT2A (0.69) | ALDH1A1KMT2ALMNAELANEGABRA1 | |
| SCHEMBL18978115 | 0.79 | KMT2A (0.69) | ALDH1A1KMT2ALMNAELANEGABRA1 | |
| SCHEMBL2466047 | 0.77 | GABRA1 (0.54) | ALDH1A1MAPTMAPK1KMT2ALMNA | |
| SCHEMBL9753410 | 0.76 | AKR1C3 (0.51) | MAPTMAPK1BCL2MCL1HTT | |
| SCHEMBL14446354 | 0.76 | ATM (0.59) | ALDH1A1MAPTMAPK1KMT2ALMNA | |
| SCHEMBL18978109 | 0.74 | KMT2A (0.62) | ALDH1A1KMT2ABCL2MCL1ELANE | |
| SCHEMBL19018120 | 0.74 | KMT2A (0.62) | ALDH1A1KMT2ABCL2MCL1ELANE |
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-5723458-A | 1,4-BENZOTHIAZEPINES | GLAXO WELLCOME INC. (US) | 1998-03-03 | — | — | US | disclosed |
| WO-1994018184-A1 | HYPOLIPIDAEMIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-08-18 | — | — | WO | disclosed |