Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 10/20 | 0.61 |
| ▸ | ABCG2 | Q9UNQ0 | 10/20 | 0.61 |
| ▸ | DRD2 | P14416 | 1/20 | 0.60 |
| ▸ | TNF | P01375 | 1/20 | 0.57 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7597148 | 0.82 | ABCB1 (0.62) | ABCB1ABCG2DRD2TNFNOD1 | |
| SCHEMBL7596705 | 0.78 | ABCB1 (0.65) | ABCB1ABCG2DRD2TNFNOD1 | |
| SCHEMBL4047475 | 0.75 | ABCB1 (1.00) | ABCB1ABCG2DRD2TNFNOD1 | |
| SCHEMBL24349700 | 0.74 | ABCB1 (0.70) | ABCB1ABCG2DRD2KDM4E | |
| SCHEMBL6512477 | 0.73 | HRH3 (0.68) | DRD2KDM4E | |
| Hydrochloric Acid SCHEMBL7600991 | 0.73 | ABCB1 (0.68) | ABCB1ABCG2DRD2 | |
| SCHEMBL8007582 | 0.72 | DRD2 (0.43) | DRD2NPC1RAB9AKDM4E | |
| SCHEMBL4047473 | 0.72 | ABCB1 (0.80) | ABCB1ABCG2DRD2TNFNOD1 | |
| Hydrochloric Acid SCHEMBL8007578 | 0.72 | DRD2 (0.42) | DRD2NPC1RAB9AKDM4E | |
| SCHEMBL8491977 | 0.71 | DRD2 (0.59) | ABCB1ABCG2DRD2TNFNOD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0782567-B2 | ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | ASTRA AB (SE) | 2002-12-11 | — | — | 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 |
| EP-0782567-B2 | ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | ASTRA AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| EP-0782567-B1 | ISOTHIOUREA DERIVATIVES AS NO SYNTHASE INHIBITORS | ASTRA AB (SE) | 1999-06-30 | — | — | EP | disclosed |
| US-5721247-A | Isothiourea derivatives useful in therapy | ASTRA AKTIEBOLAG (SE) | 1998-02-24 | — | — | US | disclosed |