Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL3589251 | 0.98 | HPGD (0.47) | HPGDALDH1A1L3MBTL1NPC1CASP3 | |
| SCHEMBL3082319 | 0.94 | ALDH1A1 (0.48) | HPGDALDH1A1L3MBTL1NPC1CASP3 | |
| SCHEMBL564714 | 0.89 | HPGD (0.43) | HPGDALDH1A1L3MBTL1NPC1CASP3 | |
| SCHEMBL7430771 | 0.84 | KDM4E (0.40) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30464563 | 0.84 | USP2 (0.43) | HPGDALDH1A1L3MBTL1NPC1CASP3 | |
| SCHEMBL3803808 | 0.82 | NPC1 (0.43) | HPGDALDH1A1L3MBTL1NPC1CASP3 | |
| SCHEMBL249966 | 0.82 | L3MBTL1 (0.49) | HPGDALDH1A1L3MBTL1NPC1CASP3 | |
| SCHEMBL13310628 | 0.80 | SSTR4 (0.43) | HPGDALDH1A1L3MBTL1NPC1CASP3 | |
| SCHEMBL3432978 | 0.79 | NPC1 (0.43) | HPGDALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL15831911 | 0.77 | ALDH1A1 (0.47) | HPGDALDH1A1L3MBTL1KDM4EHTT |
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-3652167-B1 | SPIROHEPTANYL HYDANTOINS AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2021-06-02 | — | — | EP | disclosed |
| WO-2019014303-A1 | FIVE MEMBERED-AMINOHETEROCYCLIC AND 5,6-OR 6,6-MEMBERED BICYCLIC AMINOHETEROCYCLIC INHIBITORS OF ROCK FOR THE TREATMENT OF HEART FAILURE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-01-17 | — | — | WO | disclosed |