Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | ITGB2 | P05107 | 3/20 | 0.40 |
| ▸ | ICAM1 | P05362 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3196242 | 0.83 | SLC6A4 (0.46) | SLC6A4CYP3A4CYP2C9HIF1AHPGD | |
| SCHEMBL2154366 | 0.82 | ITGB2 (0.47) | SLC6A4CYP3A4CYP2C9HIF1AHPGD | |
| SCHEMBL6299441 | 0.78 | SLC6A4 (0.44) | SLC6A4HPGDMEN1ALOX15KMT2A | |
| SCHEMBL4440726 | 0.77 | SLC6A4 (0.66) | SLC6A4CYP3A4CYP2C9HIF1AHPGD | |
| SCHEMBL9183333 | 0.76 | TP53 (0.46) | CYP3A4CYP2C9HIF1AHPGDHTT | |
| SCHEMBL10534359 | 0.74 | IDO1 (0.40) | CYP3A4CYP2C9HIF1AHPGDHTT | |
| SCHEMBL10534385 | 0.74 | IDO1 (0.40) | CYP3A4CYP2C9HIF1AHPGDHTT | |
| SCHEMBL9746559 | 0.73 | MEN1 (0.46) | SLC6A4CYP3A4CYP2C9HIF1AHPGD | |
| SCHEMBL4967338 | 0.72 | NOS3 (0.41) | CYP3A4CYP2C9HIF1AHPGDHTT | |
| SCHEMBL6299246 | 0.72 | IDO1 (0.39) | CYP3A4CYP2C9HIF1AHPGDHTT |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6942966-B1 | libraries formed by permutations; combinatorial chemistry; drug screening | ISIS PHARMACEUTICALS, INC. (US) | 2005-09-13 | — | — | US | disclosed |
| US-6559303-B1 | Bridgehead atoms are bonded to one or more bridges that interconnect one or more ring systems thereby forming a large cyclic structure. Located in each bridge are two or more nitrogenous moieties that are derivatized with chemical | ISIS PHARMACEUTICALS, INC. | 2003-05-06 | — | — | US | disclosed |
| US-6329523-B1 | FOR ANTIBACTERIAL PHARMACEUTICAL USE, USEFUL FOR IDENTIFYING METAL CHELATING SPECIES FOR ?HEAVY METAL? THERAPY; IMAGING AGENTS | ISIS PHARMACEUTICALS, INC. | 2001-12-11 | — | — | US | disclosed |
| US-6207826-B1 | Macrocyclic compounds having nitrogen-containing linkages | ISIS PHARMACEUTICALS, INC. | 2001-03-27 | — | — | US | disclosed |
| US-6197965-B1 | POLYARYLALKYLAMINO-SUBSTITUED PYRIDINE DERIVATIVES; DRUGS, MEDICINE, DIAGNOSTICS | ISIS PHARMACEUTICALS, INC. | 2001-03-06 | — | — | US | disclosed |
| EP-0817787-A4 | NITROGENOUS MACROCYCLIC COMPOUNDS | ISIS PHARMACEUTICALS INC (US) | 2000-09-13 | — | — | EP | disclosed |
| WO-1998010286-A1 | METHODS FOR PROCESSING CHEMICAL COMPOUNDS HAVING REACTIVE FUNCTIONAL GROUPS | ISIS PHARMACEUTICALS, INC. (US) | 1998-03-12 | — | — | WO | disclosed |
| WO-1998005961-A1 | COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS | ISIS PHARMACEUTICALS, INC. (US) | 1998-02-12 | — | — | WO | disclosed |
| EP-0817787-A1 | NITROGENOUS MACROCYCLIC COMPOUNDS | ISIS PHARMACEUTICALS, INC. (US) | 1998-01-14 | — | — | EP | disclosed |
| WO-1996030377-A1 | NITROGENOUS MACROCYCLIC COMPOUNDS | ISIS PHARMACEUTICALS, INC. (US) | 1996-10-03 | — | — | WO | disclosed |
| EP-0529395-A2 | Benzamide multidrug resistance reversing agents | Bristol-Myers Squibb Company (US) | 1993-03-03 | — | — | EP | disclosed |
| US-4724235-A | N-(arylthioalkyl)-N'-(aminoalkyl)ureas useful in the treatment of arrhythmia | A. H. ROBINS COMPANY, INCORPORATED (US) | 1988-02-09 | — | — | US | disclosed |
| US-4597902-A | TREATMENT OF CARDIAC ARRHYTHMIAS | A. H. ROBINS COMPANY, INCORPORATED (US) | 1986-07-01 | — | — | US | disclosed |
| EP-0066415-B1 | N-(ARYLTHIOALKYL)-N'-(AMINOALKYL)UREAS | A.H. ROBINS COMPANY, INCORPORATED (US) | 1985-10-02 | — | — | EP | disclosed |
| EP-0066415-A2 | N-(arylthioalkyl)-N'-(aminoalkyl)ureas | A.H. ROBINS COMPANY, INCORPORATED (US) | 1982-12-08 | — | — | EP | disclosed |