Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL8007625 | 0.80 | NR1H2 (0.48) | HPGDESR1ESR2ALDH1A1 | |
| SCHEMBL29805828 | 0.79 | ESR1 (0.65) | AKR1C3DRD2MEN1RAB9AKMT2A | |
| SCHEMBL114156 | 0.79 | ESR1 (0.65) | AKR1C3DRD2MEN1RAB9AKMT2A | |
| SCHEMBL7738183 | 0.76 | DRD2 (0.45) | AKR1C3DRD2MEN1RAB9AKMT2A | |
| SCHEMBL720157 | 0.76 | ESR1 (0.53) | AKR1C3MEN1RAB9AKMT2ANPC1 | |
| SCHEMBL13847911 | 0.75 | HPGD (0.47) | AKR1C3DRD2MEN1RAB9AKMT2A | |
| SCHEMBL3359328 | 0.74 | ESR1 (0.55) | AKR1C3DRD2MEN1RAB9AKMT2A | |
| SCHEMBL29987549 | 0.72 | DPP7 (0.52) | AKR1C3MEN1RAB9AKMT2ANPC1 | |
| SCHEMBL396861 | 0.72 | HPGD (0.56) | AKR1C3MEN1RAB9AKMT2ANPC1 | |
| SCHEMBL30875692 | 0.72 | HPGD (0.56) | AKR1C3MEN1RAB9AKMT2ANPC1 |
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 5 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 | 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 |
| EP-0808307-A1 | BICYCLIC ISOTHIOUREA DERIVATIVES USEFUL IN THERAPY | Astra Aktiebolag (SE) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024588-A1 | BICYCLIC ISOTHIOUREA DERIVATIVES USEFUL IN THERAPY | ASTRA AKTIEBOLAG (SE) | 1996-08-15 | — | — | WO | disclosed |