Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.42 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.41 |
| ▸ | RET | P07949 | 2/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12503559 | 0.88 | CYP2D6 (0.43) | KMT2ATAS2R8ROCK2IDO1RET | |
| SCHEMBL670519 | 0.85 | MAPT (0.48) | NPC1RAB9AKMT2ATAS2R8ROCK2 | |
| SCHEMBL10113257 | 0.81 | DGAT1 (0.54) | KMT2AALDH1A1 | |
| SCHEMBL2397086 | 0.80 | GRIN2D (0.50) | NPC1RAB9AKMT2ARETALDH1A1 | |
| SCHEMBL1444442 | 0.76 | DGAT1 (0.49) | NPC1RAB9AKMT2ALOXL2MRGPRX4 | |
| SCHEMBL671044 | 0.75 | LOXL2 (0.48) | KMT2ALOXL2TAS2R8ABHD6ROCK2 | |
| SCHEMBL675320 | 0.74 | LOXL2 (0.50) | KMT2ALOXL2TAS2R8ABHD6ROCK2 | |
| SCHEMBL13555505 | 0.74 | PKM (0.55) | RAB9ALOXL2ABHD6ROCK2ROCK1 | |
| SCHEMBL22346843 | 0.73 | LOXL2 (0.52) | KMT2ALOXL2ABHD6ROCK2ROCK1 | |
| SCHEMBL10113453 | 0.71 | HDAC1 (0.53) | LOXL2TAS2R8ABHD6ROCK2ROCK1 |
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-2012024179-A1 | SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-02-23 | — | — | WO | disclosed |
| WO-2012024179-A1 | SUBSTITUTED AMIDE DERIVATIVES AS DGAT-1 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-02-23 | — | — | WO | disclosed |