Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | BRD9 | Q9H8M2 | 3/20 | 0.38 |
| ▸ | BAZ2B | Q9UIF8 | 2/20 | 0.38 |
| ▸ | CSF1R | P07333 | 8/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 2/20 | 0.36 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.35 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 3/20 | 0.34 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.34 |
| ▸ | TAF1L | Q8IZX4 | 1/20 | 0.34 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17438012 | 0.88 | CSF1R (0.36) | NPC1RAB9ACSF1RKITMGLL | |
| SCHEMBL20646977 | 0.88 | NPC1 (0.37) | NPC1RAB9ACSF1RKITMGLL | |
| SCHEMBL17437845 | 0.85 | KDM4E (0.47) | NPC1RAB9ACSF1RKITKDM4E | |
| SCHEMBL24247822 | 0.84 | CSF1R (0.37) | NPC1RAB9ACSF1RKITMGLL | |
| SCHEMBL24976174 | 0.80 | PRMT5 (0.39) | CSF1RMGLLABHD6KDM4EALDH1A1 | |
| SCHEMBL24976173 | 0.77 | PDE8A (0.32) | MGLLABHD6 | |
| SCHEMBL24247757 | 0.76 | CSF1R (0.51) | CSF1RKITKDM4E | |
| SCHEMBL30935784 | 0.73 | GAA (0.47) | NPC1RAB9ACSF1RKDM4EALDH1A1 | |
| SCHEMBL24247829 | 0.73 | NPC1 (0.63) | NPC1RAB9ABAZ2BKITMGLL | |
| SCHEMBL9941591 | 0.73 | KDM4E (0.43) | NPC1RAB9ACSF1RKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3402790-B1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2021-10-06 | — | — | EP | disclosed |