Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | CD44 | P16070 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 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 | |
|---|---|---|---|---|
| SCHEMBL6129144 | 0.89 | TSHR (0.68) | CYP2A6TSHRCES1HTR2CNOS3 | |
| SCHEMBL9422216 | 0.89 | TSHR (0.60) | CYP2A6TSHRCES1HTR2CNPC1 | |
| SCHEMBL30096967 | 0.89 | TSHR (0.68) | CYP2A6TSHRCES1HTR2CNOS3 | |
| SCHEMBL98143 | 0.89 | TSHR (0.68) | CYP2A6TSHRCES1HTR2CNOS3 | |
| Benzene SCHEMBL11162332 | 0.85 | TSHR (0.62) | CYP2A6TSHRCES1HTR2CNOS3 | |
| SCHEMBL4465325 | 0.80 | TSHR (0.71) | CYP2A6TSHRCES1HTR2CNPC1 | |
| SCHEMBL33555 | 0.80 | — | — | |
| SCHEMBL29351986 | 0.80 | — | — | |
| SCHEMBL34906 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL330529 | 0.77 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115974792-A | Carbon bond catalyst and preparation method and application thereof | 山东大学 | 2023-04-18 | — | — | CN | disclosed |
| CN-114761386-A | Substituted N-heterocyclic carboxamides as acid ceramidase inhibitors and their use as pharmaceuticals | 比亚尔R&D投资股份公司 | 2022-07-15 | — | — | CN | disclosed |
| EP-1988078-B1 | Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders | ORTHO MCNEIL PHARM INC (US) | 2012-10-17 | — | — | EP | disclosed |
| EP-1988078-A1 | Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders | Ortho-McNeil Pharmaceutical, Inc. (US) | 2008-11-05 | — | — | EP | disclosed |
| EP-0923555-B1 | CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS | ORTHO MCNEIL PHARM INC (US) | 2005-06-15 | — | — | EP | disclosed |
| EP-1184374-A1 | Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders | ORTHO PHARMACEUTICAL CORPORATION (US) | 2002-03-06 | — | — | EP | disclosed |
| US-6069254-A | Carboxamide derivatives of piperidine for the treatment of thrombosis disorders | ORTHO PHARMACEUTICAL CORP. (US) | 2000-05-30 | — | — | US | disclosed |
| EP-0923555-A1 | CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1999-06-23 | — | — | EP | disclosed |
| WO-1997041102-A1 | CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-11-06 | — | — | WO | disclosed |