Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FOLH1 | Q04609 | 1/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 7/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.43 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4876076 | 0.89 | MAOB (0.43) | MRGPRX4CYP4F2CYP4A11KMT2A | |
| SCHEMBL4741778 | 0.86 | CYP4F2 (0.59) | FOLH1MRGPRX4SMN1; SMN2RAB9ACYP4F2 | |
| SCHEMBL5341608 | 0.86 | MRGPRX4 (0.52) | FOLH1MRGPRX4SMN1; SMN2TP53PKM | |
| SCHEMBL15987305 | 0.83 | MRGPRX4 (0.44) | FOLH1MRGPRX4NR1H4SMN1; SMN2TP53 | |
| SCHEMBL4741957 | 0.82 | ALDH1A1 (0.44) | NR1H4NR4A2KMT2AALDH1A1 | |
| SCHEMBL3698240 | 0.80 | GABRA1 (0.49) | — | |
| SCHEMBL28266847 | 0.80 | CYP4F2 (0.42) | CYP4F2CYP4A11ALDH1A1 | |
| SCHEMBL21068861 | 0.79 | CYP4F2 (0.60) | FOLH1MRGPRX4SMN1; SMN2RAB9ACYP4F2 | |
| SCHEMBL9185281 | 0.78 | IDO1 (0.42) | SMN1; SMN2RAB9AKMT2AALDH1A1 | |
| SCHEMBL1246782 | 0.78 | APEX1 (0.51) | FOLH1MRGPRX4SMN1; SMN2RAB9AHTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3901156-A1 | NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR | Vivavision (Shanghai) Ltd (CN) | 2021-10-27 | — | — | EP | disclosed |
| CN-111217834-B | Nitroxide derivatives of ROCK kinase inhibitors | 维眸生物科技（上海）有限公司 | 2021-10-26 | — | — | CN | disclosed |
| CN-111217834-A | Nitroxide derivatives of ROCK kinase inhibitors | 维眸生物科技（上海）有限公司 | 2020-06-02 | — | — | CN | disclosed |
| WO-2008096129-A1 | NITROGEN CONTAINING HETROCYCLIC COMPOUNDS USEFUL AS BIFUNCTIONAL MODULATORS OF M3 RECEPTORS AND BETA- 2 RECEPTORS | ARGENTA DISCOVERY LTD (GB) | 2008-08-14 | — | — | WO | disclosed |