Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.43 |
| ▸ | MAOA | P21397 | 4/20 | 0.42 |
| ▸ | MAOB | P27338 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 SCHEMBL8021484 | 0.99 | MAOA (0.44) | ROCK2MAOAMAOBNPSR1DRD2 | |
| SCHEMBL8007582 | 0.86 | DRD2 (0.43) | ROCK2MAOAMAOBNPSR1DRD2 | |
| Hydrochloric Acid SCHEMBL8007578 | 0.85 | DRD2 (0.42) | ROCK2MAOAMAOBNPSR1DRD2 | |
| Hydrochloric Acid SCHEMBL1789491 | 0.82 | ROCK2 (0.45) | ROCK2MAOAMAOBDRD2DRD3 | |
| SCHEMBL2248318 | 0.79 | ACLY (0.53) | ROCK2MAOANPC1RAB9ACYP3A4 | |
| SCHEMBL8130701 | 0.77 | NPC1 (0.65) | ROCK2NPC1RAB9ACYP3A4 | |
| SCHEMBL8131703 | 0.76 | RAB9A (0.66) | ROCK2NPSR1NPC1RAB9ACYP3A4 | |
| SCHEMBL13006343 | 0.76 | MAOA (0.52) | MAOAMAOBDRD2DRD3CYP3A4 | |
| SCHEMBL3111905 | 0.75 | NOS3 (0.55) | ROCK2MAOAMAOBNPC1RAB9A | |
| SCHEMBL7828896 | 0.75 | ROCK2 (0.41) | ROCK2CYP3A4ROCK1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6040314-A | Bicyclic isothiourea derivatives useful in therapy | ASTRA AB (SE) | 2000-03-21 | — | — | US | claimed |
| EP-0808307-B1 | BICYCLIC ISOTHIOUREA DERIVATIVES USEFUL IN THERAPY | ASTRA AB (SE) | 2000-01-12 | — | — | EP | claimed |
| EP-0808307-A1 | BICYCLIC ISOTHIOUREA DERIVATIVES USEFUL IN THERAPY | Astra Aktiebolag (SE) | 1997-11-26 | — | — | EP | claimed |
| WO-1996024588-A1 | BICYCLIC ISOTHIOUREA DERIVATIVES USEFUL IN THERAPY | ASTRA AKTIEBOLAG (SE) | 1996-08-15 | — | — | WO | claimed |
| US-6040314-A | Bicyclic isothiourea derivatives useful in therapy | ASTRA AB (SE) | 2000-03-21 | — | — | US | disclosed |
| EP-0808307-B1 | BICYCLIC ISOTHIOUREA DERIVATIVES USEFUL IN THERAPY | ASTRA AB (SE) | 2000-01-12 | — | — | EP | disclosed |
| US-5786364-A | Bicyclic isothiourea derivatives useful in therapy | ASTRA AKTIEBOLAG (SE) | 1998-07-28 | — | — | US | disclosed |