Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.65 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.65 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 7/20 | 0.52 |
| ▸ | HRH1 | P35367 | 7/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10513477 | 0.78 | HTR2A (0.47) | OPRM1OPRD1SIGMAR1HTR2AHRH1 | |
| SCHEMBL13060870 | 0.78 | HTR2A (0.57) | OPRM1OPRD1HTR2AHRH1SLC6A4 | |
| Hydrochloric Acid SCHEMBL5493462 | 0.76 | OPRM1 (0.47) | OPRM1OPRD1SIGMAR1HTR2AHRH1 | |
| SCHEMBL9514760 | 0.76 | CARM1 (0.47) | OPRM1OPRD1HTR2AHRH1SLC6A4 | |
| SCHEMBL7981758 | 0.76 | OPRM1 (0.46) | OPRM1OPRD1HTR2AHRH1SLC6A4 | |
| SCHEMBL8133703 | 0.76 | HTR2A (0.45) | OPRM1OPRD1SIGMAR1HTR2AHRH1 | |
| SCHEMBL9513844 | 0.76 | HTR2A (0.45) | OPRM1OPRD1SIGMAR1HTR2AHRH1 | |
| SCHEMBL11111163 | 0.74 | HTR2A (0.63) | OPRM1OPRD1SIGMAR1HTR2AHRH1 | |
| SCHEMBL9502040 | 0.73 | KCNH2 (0.46) | OPRM1OPRD1SIGMAR1HTR2AHRH1 | |
| Hydrochloric Acid SCHEMBL11118179 | 0.73 | HTR2A (0.61) | OPRM1SIGMAR1HTR2AHRH1SLC6A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7320993-B1 | Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents | ASTELLAS DEUTSCHLAND GMBH (DE) | 2008-01-22 | — | — | US | disclosed |
| EP-1042291-B1 | ARYL-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS | KLINGE CO CHEM PHARM FAB (DE) | 2005-07-13 | — | — | EP | disclosed |
| US-5405843-A | Anticancer drug potentiators | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1995-04-11 | — | — | US | disclosed |
| EP-0363212-B1 | Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components | MITSUI TOATSU CHEMICALS (JP) | 1995-01-04 | — | — | EP | disclosed |
| US-5204348-A | Quinoline derivatives | MITSUI TOATSU CHEMICALS INC. (JP) | 1993-04-20 | — | — | US | disclosed |
| US-5112817-A | Anticancer Drug Potentiators | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1992-05-12 | — | — | US | disclosed |