Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.45 |
| ▸ | PRMT6 | Q96LA8 | 10/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CARM1 | Q86X55 | 4/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6602265 | 0.81 | SMN1; SMN2 (0.51) | KDM4EMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL19251036 | 0.78 | KDM4E (0.42) | PRMT6KDM4EMAPTCARM1ROCK2 | |
| SCHEMBL10061632 | 0.77 | KDM4E (0.52) | NOS1PRMT6KDM4ENOS2CYP3A4 | |
| SCHEMBL30880298 | 0.77 | KDM4E (0.52) | NOS1PRMT6KDM4ENOS2CYP3A4 | |
| SCHEMBL3824005 | 0.76 | L3MBTL1 (0.47) | NOS1KDM4EMAPTROCK2ROCK1 | |
| SCHEMBL24506828 | 0.76 | SMN1; SMN2 (0.57) | KDM4EMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL21257469 | 0.76 | SMN1; SMN2 (0.61) | KDM4EMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL17115656 | 0.76 | SMN1; SMN2 (0.44) | KDM4ECYP3A4MAPTEPHX2ALDH1A1 | |
| SCHEMBL21257475 | 0.75 | SMN1; SMN2 (0.63) | KDM4EMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL1697126 | 0.74 | MAPT (0.64) | NOS1PRMT6KDM4ENOS2CYP3A4 |
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-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |