Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24933547 | 0.79 | ALDH1A1 (0.37) | MEN1KMT2ARAB9AALDH1A1MAPT | |
| SCHEMBL24934088 | 0.67 | KMT2A (0.38) | MEN1KMT2ARAB9AALDH1A1MAPT | |
| SCHEMBL24934189 | 0.65 | HDAC3 (0.36) | TRPV1MEN1KMT2ARAB9AALDH1A1 | |
| SCHEMBL22890823 | 0.65 | ERN1 (0.41) | MEN1KMT2ARAB9AALDH1A1MAPT | |
| SCHEMBL29626671 | 0.64 | MAPT (0.67) | TRPV1ALDH1A1MAPTSMN1; SMN2MAOB | |
| SCHEMBL29750518 | 0.64 | MAPT (0.67) | TRPV1ALDH1A1MAPTSMN1; SMN2MAOB | |
| SCHEMBL1136437 | 0.64 | MAPT (0.67) | TRPV1ALDH1A1MAPTSMN1; SMN2MAOB | |
| SCHEMBL1136435 | 0.64 | MAPT (0.67) | TRPV1ALDH1A1MAPTSMN1; SMN2MAOB | |
| SCHEMBL2744313 | 0.64 | MAPT (0.70) | TRPV1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL24933454 | 0.64 | — | — |
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-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |