Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.39 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.39 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CSF1R | P07333 | 4/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9941702 | 0.84 | KDM4E (0.43) | NPC1RAB9APRMT5WDR77MGLL | |
| SCHEMBL16369955 | 0.84 | KDM4E (0.52) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL24247762 | 0.83 | NPC1 (0.37) | NPC1RAB9AMGLLALDH1A1KDM4E | |
| SCHEMBL21947320 | 0.81 | CSF1R (0.39) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL20646990 | 0.81 | NPC1 (0.40) | NPC1RAB9APRMT5WDR77MGLL | |
| SCHEMBL21946548 | 0.80 | CSF1R (0.51) | ALDH1A1KDM4ECSF1R | |
| SCHEMBL31365942 | 0.78 | NPC1 (0.53) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL24247756 | 0.78 | NPC1 (0.40) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL24247718 | 0.78 | NPC1 (0.40) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL23889196 | 0.77 | KIT (0.42) | NPC1RAB9AMGLLALDH1A1KDM4E |
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-3954681-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2022-02-16 | — | — | EP | disclosed |
| EP-3402790-B1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-10-06 | — | — | EP | disclosed |