Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SOS2 | Q07890 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | SCN4A | P35499 | 5/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12706135 | 1.00 | TAAR1 (0.45) | TAAR1ESR1DPP4DPP7SLC6A2 | |
| SCHEMBL12706026 | 1.00 | TAAR1 (0.45) | TAAR1ESR1DPP4DPP7SLC6A2 | |
| SCHEMBL22295822 | 0.81 | TAAR1 (0.37) | TAAR1ESR1DPP4DPP7SLC6A2 | |
| SCHEMBL2339905 | 0.80 | SCN4A (0.51) | TAAR1SLC6A2SLC6A4SCN4A | |
| SCHEMBL8410577 | 0.80 | SCN4A (0.51) | TAAR1SLC6A2SLC6A4SCN4A | |
| SCHEMBL11323357 | 0.80 | SLC6A2 (0.52) | TAAR1ESR1SLC6A2SLC6A4CYP2D6 | |
| SCHEMBL9318564 | 0.79 | ESR1 (0.45) | TAAR1ESR1SLC6A2SLC6A4CYP3A4 | |
| SCHEMBL6547208 | 0.78 | ESR1 (0.43) | TAAR1ESR1SLC6A2SLC6A4CYP3A4 | |
| Ortetamine SCHEMBL42180 | 0.77 | TAAR1 (0.52) | TAAR1SLC6A2SLC6A4SOS2SLC6A3 | |
| SCHEMBL7591099 | 0.77 | ESR1 (0.46) | TAAR1ESR1SCN4A |
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-3690038-A1 | ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2020-08-05 | — | — | EP | disclosed |
| WO-2019065964-A1 | ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE | 第一三共株式会社 | 2019-04-04 | — | — | WO | disclosed |
| US-9725405-B2 | Alkynes and methods of reacting alkynes with 1,3-dipole-functional compounds | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2017-08-08 | — | — | US | disclosed |
| US-20040242437-A1 | Antiwear performance of engine oils with $g(b)-dithiophosphorylated propionic acids | CIBA SPECIALTY CHEMICALS CORP. | 2004-12-02 | — | — | US | disclosed |
| WO-2002102945-A1 | IMPROVED ANTIWEAR PERFORMANCE OF ENGINE OILS WITH $G(B)-DITHIOPHOSPHORYLATED PROPIONIC ACIDS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2002-12-27 | — | — | WO | disclosed |
| US-5892051-A | WEAR RESISTANCE | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1999-04-06 | — | — | US | disclosed |
| US-5714442-A | REACTING A 1H-1,2,4-TRIAZOLE OR BENZOTRIAZOLE WITH AN ALDEHYDE, OR DIOL OR DIVINYL ETHER; METAL DEACTIVATORS USED IN LUBRICANTS | CIBA SPECIALITY CHEMICALS CORPORATION (US) | 1998-02-03 | — | — | US | disclosed |