Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL9835024 | 0.80 | LDHA (0.36) | LDHANPC1RAB9ASMN1; SMN2NR1H2 | |
| SCHEMBL2099637 | 0.78 | IDO1 (0.48) | RAB9ASMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30089883 | 0.77 | AHR (0.41) | RAB9ASMN1; SMN2HPGDALPLALDH1A1 | |
| SCHEMBL16112339 | 0.76 | PBRM1 (0.52) | NPC1RAB9ASMN1; SMN2NR1H2NR1H3 | |
| SCHEMBL10801976 | 0.76 | DCUN1D1 (0.43) | NPC1RAB9ASMN1; SMN2IDO1DCUN1D1 | |
| SCHEMBL11686059 | 0.76 | IDO1 (0.52) | NPC1RAB9ASMN1; SMN2CYP3A4HPGD | |
| SCHEMBL15125436 | 0.76 | GAA (0.52) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL9173243 | 0.76 | IDO1 (0.47) | RAB9ASMN1; SMN2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1395368 | 0.76 | IDO1 (0.48) | NPC1RAB9ASMN1; SMN2HPGDIDO1 | |
| SCHEMBL626420 | 0.75 | NR4A2 (0.36) | LDHANPC1RAB9ASMN1; SMN2NR1H2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2483278-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011036280-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | WO | disclosed |
| CN-1251589-A | Substituted triazolopyridazine derivatives as ligands for GABA receptors | MERCK SHARP & DOHME (GB) | 2000-04-26 | — | — | CN | disclosed |
| EP-0915875-A2 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998004559-A2 | SUBSTITUTED TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1998-02-05 | — | — | WO | disclosed |
| CN-1053792-A | Herbicidal compound with triazolopyridine group | RHONE POULENO AGROCHIMIE (FR) | 1991-08-14 | — | — | CN | disclosed |