Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 2/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | F7 | P08709 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7595176 | 0.96 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL7595893 | 0.83 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL9037983 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| Hydrochloric Acid SCHEMBL6956565 | 0.79 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL7599284 | 0.78 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL29558856 | 0.76 | NOS3 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL122445 | 0.76 | NOS3 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL21114827 | 0.76 | HDAC1 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| SCHEMBL29521416 | 0.76 | HDAC1 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 | |
| Hydrochloric Acid SCHEMBL31114391 | 0.76 | NOS3 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C19SLC2A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0782567-B2 | ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | ASTRA AB (SE) | 2002-12-11 | — | — | EP | claimed |
| EP-0782567-B1 | ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | ASTRA AB (SE) | 1999-06-30 | — | — | EP | claimed |
| US-5721247-A | Isothiourea derivatives useful in therapy | ASTRA AKTIEBOLAG (SE) | 1998-02-24 | — | — | US | claimed |
| EP-0782567-A1 | ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | Astra Aktiebolag (SE) | 1997-07-09 | — | — | EP | claimed |
| WO-1996009286-A1 | ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | ASTRA AKTIEBOLAG (SE) | 1996-03-28 | — | — | WO | claimed |