Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 1/20 | 0.45 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | CTSA | P10619 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28149622 | 0.80 | LTA4H (0.39) | NR1H3MAPTNPC1RAB9AKMT2A | |
| SCHEMBL27468396 | 0.79 | NR1H3 (0.51) | FBP1NR1H3MAPTNPC1KMT2A | |
| SCHEMBL378027 | 0.78 | PDPK1 (0.50) | NR1H3TAAR1KDM4EALDH1A1 | |
| SCHEMBL7617248 | 0.77 | PDPK1 (0.48) | NR1H3TAAR1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL3930720 | 0.77 | PDPK1 (0.48) | NR1H3TAAR1KDM4EALDH1A1 | |
| SCHEMBL2733048 | 0.74 | ENPP2 (0.48) | NPC1RAB9AHPGD | |
| SCHEMBL3300276 | 0.73 | PNMT (0.65) | CYP3A4IDO1AGXTPNMTTAAR1 | |
| SCHEMBL6167806 | 0.72 | NR1H3 (0.56) | NR1H3CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL25178798 | 0.72 | LTA4H (0.39) | FBP1NR1H3CYP2D6ALDH1A1 | |
| SCHEMBL29129520 | 0.71 | LTA4H (0.40) | NR1H3CYP2C19CYP11B1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2515657-A1 | TYROSINE KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011084402-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |