Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.30 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22720838 | 0.69 | NR1H2 (0.41) | ELANEKDM4EMAPTTHRBESR2 | |
| SCHEMBL29016271 | 0.68 | DDB1 (0.38) | ELANEKDM4EMAPTTHRBESR2 | |
| SCHEMBL28831819 | 0.65 | ESR2 (0.40) | ELANEKDM4EMAPTTHRBESR2 | |
| Acetic Acid SCHEMBL28215593 | 0.65 | SMN1; SMN2 (0.40) | ELANEKDM4EMAPTTHRBESR2 | |
| SCHEMBL28688256 | 0.65 | ESR2 (0.41) | ELANEKDM4EMAPTTHRBESR2 | |
| SCHEMBL2274541 | 0.65 | ADORA1 (0.40) | KDM4EMAPTTHRBESR2MAPK1 | |
| SCHEMBL31165785 | 0.65 | MAPK1 (0.34) | ELANEKDM4EMAPTTHRBESR2 | |
| SCHEMBL11908106 | 0.65 | ADORA1 (0.33) | ELANEKDM4EMAPTESR2MAPK1 | |
| SCHEMBL17868342 | 0.64 | ESR2 (0.36) | ELANEKDM4EMAPTTHRBESR2 | |
| SCHEMBL14855016 | 0.64 | ESR2 (0.36) | ELANEKDM4EMAPTTHRBESR2 |
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-3402790-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | Bristol-Myers Squibb Company (US) | 2018-11-21 | — | — | EP | disclosed |
| WO-2017123860-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-07-20 | — | — | WO | disclosed |