Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 6/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.47 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | GALR3 | O60755 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15844181 | 0.90 | NOTUM (0.47) | NOTUMLTA4HIMPDH2ROCK1GALR3 | |
| SCHEMBL114094 | 0.84 | LTA4H (0.49) | NOTUMLTA4HIMPDH2ROCK1ROCK2 | |
| SCHEMBL113082 | 0.82 | ROCK2 (0.52) | NOTUMIMPDH2ROCK1ROCK2PRMT3 | |
| SCHEMBL16056718 | 0.81 | ROCK2 (0.56) | NOTUMIMPDH2ROCK1ROCK2PRMT3 | |
| SCHEMBL115009 | 0.81 | ROCK2 (0.53) | NOTUMIMPDH2ROCK1ROCK2PRMT3 | |
| SCHEMBL112509 | 0.80 | NOTUM (0.46) | NOTUMIMPDH2ROCK1ROCK2PRMT3 | |
| SCHEMBL12202000 | 0.79 | NOTUM (0.76) | NOTUMIMPDH2ROCK1GALR3NPC1 | |
| SCHEMBL113436 | 0.76 | IMPDH2 (0.47) | NOTUMIMPDH2ROCK1ROCK2PRMT3 | |
| SCHEMBL2777629 | 0.75 | NOTUM (0.44) | NOTUMLTA4HIMPDH2ROCK1ROCK2 | |
| SCHEMBL9883133 | 0.75 | ROCK2 (0.77) | ROCK1ROCK2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2424842-A2 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | Aerie Pharmaceuticals, Inc. (US) | 2012-03-07 | — | — | EP | disclosed |
| EP-2424857-A1 | DUAL-ACTION INHIBITORS AND METHODS OF USING SAME | Aerie Pharmaceuticals, Inc. (US) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010127329-A1 | DUAL-ACTION INHIBITORS AND METHODS OF USING SAME | AERIE PHARMACEUTICALS, INC. (US) | 2010-11-04 | — | — | WO | disclosed |
| WO-2010127330-A1 | DUAL-ACTION INHIBITORS AND METHODS OF USING SAME | AERIE PHAMACEUTICALS, INC. (US) | 2010-11-04 | — | — | WO | disclosed |
| WO-2010126626-A2 | DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE | AERIE PHARMACEUTICALS, INC. (US) | 2010-11-04 | — | — | WO | disclosed |