Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.56 |
| ▸ | CES1 | P23141 | 2/20 | 0.56 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HPGDS | O60760 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL120212 | 0.91 | — | — | |
| SCHEMBL937615 | 0.91 | — | — | |
| Urea SCHEMBL4239865 | 0.89 | CES2 (0.62) | CES2CES1DAONPC1RAB9A | |
| Hydrochloric Acid SCHEMBL3194035 | 0.89 | CES2 (0.62) | CES2CES1DAONPC1RAB9A | |
| Hydrochloric Acid SCHEMBL485645 | 0.89 | — | — | |
| Cyclopentane SCHEMBL29102054 | 0.85 | CES2 (0.58) | CES2CES1DAONPC1RAB9A | |
| Sulfuric Acid SCHEMBL28129454 | 0.83 | CES2 (0.56) | CES2CES1DAONPC1RAB9A | |
| Phosphoric Acid SCHEMBL28129466 | 0.83 | CES2 (0.56) | CES2CES1DAONPC1RAB9A | |
| SCHEMBL30385820 | 0.83 | DAO (0.58) | CES2CES1DAONPC1RAB9A | |
| Isopropylamine SCHEMBL28222054 | 0.82 | RAB9A (0.55) | CES2CES1DAONPC1RAB9A |
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-3114124-A1 | BENZIMIDAZOLE DERIVATIVES AS RLK and ITK INHIBITORS | PRINCIPIA BIOPHARMA, INC. (US) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015134210-A1 | BENZIMIDAZOLE DERIVATIVES AS RLK and ITK INHIBITORS | PRINCIPIA BIOPHARMA, INC. (US) | 2015-09-11 | — | — | WO | disclosed |