Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2145850 | 0.80 | ALDH1A1 (0.39) | KMT2ARAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL5184111 | 0.80 | CYP19A1 (0.61) | KMT2ACYP19A1ALDH1A1HSD17B10CYP11B1 | |
| SCHEMBL6504970 | 0.80 | CYP19A1 (0.39) | LMNAKMT2ACYP19A1RAB9ANPC1 | |
| SCHEMBL2789136 | 0.80 | LTA4H (0.42) | KMT2ACYP19A1RAB9ACYP11B1 | |
| SCHEMBL1515763 | 0.79 | SLC6A3 (0.58) | LMNAKMT2AALDH1A1MAPTHSD17B10 | |
| SCHEMBL1515746 | 0.79 | HTR2A (0.50) | LMNAKMT2AALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL4312752 | 0.78 | BRAF (0.34) | — | |
| SCHEMBL26999421 | 0.78 | ALOX15 (0.54) | LMNAKMT2AALDH1A1MAPTHPGD | |
| SCHEMBL26999435 | 0.78 | ALDH1A1 (0.54) | LMNAKMT2AALDH1A1HPGDCYP2C19 | |
| SCHEMBL5921850 | 0.77 | KIF11 (0.48) | CYP19A1CYP2C19CYP3A4CYP1A2 |
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-2922842-A2 | NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A | AbbVie Inc. (US) | 2015-09-30 | — | — | EP | disclosed |
| WO-2014079995-A2 | NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A | ABBVIE INC. (US) | 2014-05-30 | — | — | WO | disclosed |
| EP-0948257-A4 | TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 1999-12-29 | — | — | EP | disclosed |
| EP-0948257-A1 | TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 1999-10-13 | — | — | EP | disclosed |
| US-5955480-A | GLUCAGON RECEPTOR ANTAGONISTS, CYTOKINE INHIBITORS | MERCK & CO., INC. (US) | 1999-09-21 | — | — | US | disclosed |
| WO-1998021957-A1 | TRIARYL SUBSTITUTED IMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 1998-05-28 | — | — | WO | disclosed |