Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | LOX | P28300 | 13/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 4/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3971730 | 0.82 | ALDH1A1 (0.53) | CYP3A4CYP2C9CYP2C19ALDH1A1MAPK1 | |
| SCHEMBL8191376 | 0.74 | — | — | |
| SCHEMBL14895460 | 0.71 | CYP2E1 (0.38) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL1680891 | 0.69 | ALDH1A1 (0.41) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL1680452 | 0.66 | LOX (0.37) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL1680558 | 0.64 | LOX (0.36) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL29574366 | 0.64 | LTA4H (0.68) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL3978871 | 0.63 | MAPT (0.56) | CYP3A4CYP2C9CYP2C19ALDH1A1RAB9A | |
| SCHEMBL4034031 | 0.63 | MAPT (0.56) | CYP3A4CYP2C9CYP2C19ALDH1A1RAB9A | |
| Iodide SCHEMBL29574376 | 0.62 | LTA4H (0.65) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 |
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-1049673-A1 | HETEROCYCLIC AMIDINES AS CALLICREIN PROTEASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-08 | — | — | EP | claimed |
| WO-1999037611-A1 | HETEROCYCLIC AMIDINES AS CALLICREIN PROTEASE INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-07-29 | — | — | WO | claimed |