Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.51 |
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | MITF | O75030 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.49 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.49 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | RHOA | P61586 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9231807 | 0.82 | RAB9A (0.59) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL222876 | 0.78 | HDAC3 (0.58) | NPC1RAB9AALDH1A1POLBHIF1A | |
| SCHEMBL29435026 | 0.78 | HDAC3 (0.58) | NPC1RAB9AALDH1A1POLBHIF1A | |
| SCHEMBL2724979 | 0.77 | NPC1 (0.55) | NPC1RAB9AALDH1A1POLBMEN1 | |
| SCHEMBL7439456 | 0.76 | HDAC3 (0.57) | NPC1RAB9AALDH1A1POLBHIF1A | |
| SCHEMBL536638 | 0.75 | ALDH1A1 (0.51) | NPC1RAB9AALDH1A1POLBHIF1A | |
| SCHEMBL29378002 | 0.75 | ALDH1A1 (0.51) | NPC1RAB9AALDH1A1POLBHIF1A | |
| SCHEMBL7824768 | 0.75 | NPSR1 (0.78) | NPC1RAB9AALDH1A1POLBMEN1 | |
| SCHEMBL29556844 | 0.74 | AKR1C3 (0.56) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL399246 | 0.74 | AKR1C3 (0.56) | NPC1RAB9AALDH1A1MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015071393-A1 | TETRAHYDRO-BENZODIAZEPINONES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-05-21 | — | — | WO | disclosed |