Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL14019341 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP2D6APEX1PMP22DPP4 | |
| SCHEMBL14032489 | 0.82 | TAAR1 (0.59) | EPHX1TAAR1SLC6A2ESR1 | |
| SCHEMBL22937469 | 0.82 | EPHX1 (0.50) | EPHX1PMP22ALOX5TAAR1SLC6A2 | |
| SCHEMBL23643109 | 0.82 | EPHX1 (0.50) | EPHX1CYP2D6ALOX5TAAR1SLC6A2 | |
| SCHEMBL934530 | 0.82 | TAAR1 (0.59) | EPHX1TAAR1SLC6A2ESR1 | |
| SCHEMBL23643108 | 0.82 | EPHX1 (0.50) | EPHX1ALOX5TAAR1SLC6A2 | |
| SCHEMBL12639935 | 0.82 | TBXAS1 (0.51) | CYP1A2CYP2D6APEX1PMP22ALOX5 | |
| SCHEMBL22593510 | 0.82 | EPHX1 (0.50) | EPHX1DPP4ALOX5TAAR1 | |
| SCHEMBL457465 | 0.82 | TBXAS1 (0.51) | CYP1A2CYP2D6APEX1PMP22ALOX5 | |
| SCHEMBL12118748 | 0.82 | EPHX1 (0.50) | EPHX1DPP4ALOX5TAAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011037833-A2 | NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2011-03-31 | — | — | WO | disclosed |
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |