Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.51 |
| ▸ | CDC25A | P30304 | 1/20 | 0.46 |
| ▸ | CDC25C | P30307 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL22373976 | 0.82 | TDO2 (0.50) | ROCK2KDM4ERAB9AMAOBALDH1A1 | |
| SCHEMBL862799 | 0.81 | PDE2A (0.56) | CDC25ACDC25CKDM4ERAB9AALDH1A1 | |
| SCHEMBL15240439 | 0.81 | ROCK2 (0.48) | ROCK2CDC25ACDC25CKDM4ERAB9A | |
| SCHEMBL15973035 | 0.81 | ROCK2 (0.48) | ROCK2KDM4ERAB9AALDH1A1MAPT | |
| SCHEMBL11209858 | 0.81 | MAPT (0.70) | ROCK2CDC25ACDC25CKDM4ERAB9A | |
| SCHEMBL20308132 | 0.80 | ACHE (0.45) | ROCK2CDC25ACDC25CKDM4ERAB9A | |
| SCHEMBL18901202 | 0.79 | ROCK2 (0.46) | ROCK2KDM4ERAB9AALDH1A1MAPT | |
| SCHEMBL16377287 | 0.79 | ROCK2 (0.46) | ROCK2KDM4ERAB9AMAOBALDH1A1 | |
| SCHEMBL14389015 | 0.78 | NPSR1 (0.64) | CDC25ACDC25CKDM4ERAB9AMAOA | |
| SCHEMBL13924644 | 0.78 | CDC25A (0.54) | CDC25ACDC25CKDM4ERAB9AMAOB |
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 |