Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | COMT | P21964 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | PLAU | P00749 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28397791 | 0.81 | PARP1 (0.66) | PARP1ALDH1A1RAB9ALMNAHSD17B10 | |
| SCHEMBL58112 | 0.81 | PLAU (0.56) | ALDH1A1RAB9ALMNAHSD17B10KDM4E | |
| SCHEMBL29365341 | 0.81 | PARP1 (1.00) | PARP1ALDH1A1RAB9ALMNAHSD17B10 | |
| SCHEMBL57212 | 0.81 | PARP1 (1.00) | PARP1ALDH1A1RAB9ALMNAHSD17B10 | |
| Hydrochloric Acid SCHEMBL7380702 | 0.79 | PARP1 (0.95) | PARP1ALDH1A1RAB9ALMNAHSD17B10 | |
| SCHEMBL670718 | 0.79 | PARP1 (0.95) | PARP1ALDH1A1RAB9ALMNAHSD17B10 | |
| SCHEMBL20787979 | 0.79 | PLAU (0.54) | ALDH1A1RAB9ALMNAHSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL2455495 | 0.79 | PARP1 (0.95) | PARP1ALDH1A1RAB9ALMNAHSD17B10 | |
| Benzene SCHEMBL670928 | 0.79 | PARP1 (0.95) | PARP1ALDH1A1RAB9ALMNAHSD17B10 | |
| Hydrochloric Acid SCHEMBL30294983 | 0.79 | PARP1 (0.95) | PARP1ALDH1A1RAB9ALMNAHSD17B10 |
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-2054389-A1 | 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES AS ROCK-1 INHIBITORS | N.V. Organon (NL) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008020081-A1 | 6-SUBSTITUTED ISOQUINOLINE DERIVATIVES AS ROCK-1 INHIBITORS | N.V. ORGANON (NL) | 2008-02-21 | — | — | WO | disclosed |