Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSIP1 | O75475 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ICMT | O60725 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL27489390 | 0.88 | SMN1; SMN2 (0.58) | PSIP1SMN1; SMN2L3MBTL1CYP1A2CYP3A4 | |
| SCHEMBL29563275 | 0.86 | SMN1; SMN2 (0.53) | PSIP1SMN1; SMN2L3MBTL1MAPTHTT | |
| SCHEMBL6232014 | 0.86 | SMN1; SMN2 (0.53) | PSIP1SMN1; SMN2L3MBTL1MAPTHTT | |
| SCHEMBL11512622 | 0.84 | IDO1 (0.55) | IDO1MAPTHTT | |
| SCHEMBL479327 | 0.82 | PSIP1 (0.53) | PSIP1SMN1; SMN2L3MBTL1IDO1TAS1R3 | |
| SCHEMBL12656153 | 0.82 | PSIP1 (0.46) | PSIP1SMN1; SMN2L3MBTL1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL3323107 | 0.80 | PSIP1 (0.52) | PSIP1SMN1; SMN2L3MBTL1IDO1TAS1R3 | |
| SCHEMBL26416944 | 0.80 | CA12 (0.57) | PSIP1SMN1; SMN2L3MBTL1IDO1MAPT | |
| SCHEMBL10798671 | 0.79 | CHEK1 (0.54) | PSIP1SMN1; SMN2L3MBTL1IDO1CYP1A2 | |
| SCHEMBL18434515 | 0.79 | L3MBTL1 (0.45) | PSIP1SMN1; SMN2L3MBTL1MAPTNPC1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9656956-B2 | Benzene, pyridine, and pyridazine derivatives | ESANEX, INC. (US) | 2017-05-23 | — | — | US | disclosed |
| WO-2012075232-A1 | OPIOID RECEPTOR LIGANDS AND METHODS OF USING AND MAKING THE SAME | TREVENA, INC. (US) | 2012-06-07 | — | — | WO | disclosed |
| EP-1530562-A1 | OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME | Central Glass Company, Limited (JP) | 2005-05-18 | — | — | EP | disclosed |
| WO-2004022521-A1 | OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME | CENTRAL GLASS COMPANY, LIMITED (JP) | 2004-03-18 | — | — | WO | disclosed |
| EP-1377555-A1 | NOVEL COMPOUNDS | GlaxoSmithKline S.p.A. (IT) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002083645-A1 | NOVEL COMPOUNDS | GLAXOSMITHKLINE S.P.A. (IT) | 2002-10-24 | — | — | WO | disclosed |
| EP-0711289-B1 | PIPERAZINE COMPOUNDS USED IN THERAPY | DELTA PHARMACEUTICALS INC (US) | 2000-08-23 | — | — | EP | disclosed |
| US-5681830-A | DIARYLMETHYL PIPERAZINE COMPOUNDS HAVING UTILITY IN MEDICAL THERAPY AS RECEPTOR-BINDING SPECIES | DELTA PHARMACEUTICALS, INC. (US) | 1997-10-28 | — | — | US | disclosed |
| US-5574159-A | DIARYLMETHYL PIPERAZINES, RECEPTOR BINDING | DELTA PHARMACEUTICALS, INC. (US) | 1996-11-12 | — | — | US | disclosed |
| US-5552404-A | COMPOUNDS FOR NEUROTRANSMITTERS FOR ANIMALS | DELTA PHARMACEUTICALS, INC. (US) | 1996-09-03 | — | — | US | disclosed |
| EP-0711289-A1 | PIPERAZINE COMPOUNDS USED IN THERAPY | DELTA PHARMACEUTICALS, INC. (US) | 1996-05-15 | — | — | EP | disclosed |
| WO-1995004051-A1 | PIPERAZINE COMPOUNDS USED IN THERAPY | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-02-09 | — | — | WO | disclosed |