Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 3/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.42 |
| ▸ | LSS | P48449 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL1436108 | 0.81 | PTPN1 (0.54) | ALDH1A1TAAR1IDO1MAOBFFAR1 | |
| Hydrochloric Acid SCHEMBL7347655 | 0.79 | IDO1 (0.52) | ALDH1A1TAAR1IDO1MAOBFFAR1 | |
| SCHEMBL25588013 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TAAR1IDO1MAOBFFAR1 | |
| SCHEMBL27982876 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TAAR1IDO1MAOBFFAR1 | |
| SCHEMBL29168419 | 0.78 | TAAR1 (0.55) | TAAR1IDO1MAOBFFAR1HDAC1 | |
| SCHEMBL15129318 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TAAR1IDO1MAOBFFAR1 | |
| SCHEMBL1134141 | 0.77 | TAAR1 (0.54) | ALDH1A1TAAR1IDO1MAOBFFAR1 | |
| SCHEMBL21192809 | 0.77 | EPHX2 (0.47) | HDAC3HDAC6HDAC8EPHX2 | |
| SCHEMBL18025774 | 0.77 | IDO1 (0.50) | ALDH1A1TAAR1IDO1FFAR1MTOR | |
| SCHEMBL296280 | 0.77 | ALDH1A1 (0.55) | ALDH1A1TAAR1IDO1KCNH2TMEM97 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |