Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CETP | P11597 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 3/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8098095 | 0.79 | ALDH1A1 (0.40) | CYP3A4ALDH1A1CYP2C9CYP2C19OPRM1 | |
| SCHEMBL19986832 | 0.75 | HPGD (0.36) | CYP2C19POLB | |
| SCHEMBL4964136 | 0.75 | CYP3A4 (0.49) | CYP3A4ALDH1A1CYP2C9CYP2C19LMNA | |
| SCHEMBL5948337 | 0.74 | CYP3A4 (0.67) | CYP3A4ALDH1A1CYP2C9CYP2C19LMNA | |
| SCHEMBL7435493 | 0.74 | MMP8 (0.57) | ALDH1A1LMNAMMP8MEN1TSHR | |
| SCHEMBL6253747 | 0.73 | POLB (0.67) | CYP3A4ALDH1A1CYP2C9CYP2C19LMNA | |
| SCHEMBL6406694 | 0.73 | ALDH1A1 (0.48) | CYP3A4ALDH1A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL6514301 | 0.73 | ALDH1A1 (0.65) | CYP3A4ALDH1A1CYP2C9CYP2C19LMNA | |
| SCHEMBL7442260 | 0.72 | CYP2C19 (0.55) | CYP3A4CYP2C19CYP1A2MMP8MEN1 | |
| SCHEMBL13813940 | 0.72 | CYP3A4 (0.63) | CYP3A4ALDH1A1CYP2C9CYP2C19LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5814622-A | COMPOUND USEFUL AS TRYPSIN LIKE SERINE PROTEASE AS THROMBIN INHIBITORS | ADIR ET COMPAGNIE (FR) | 1998-09-29 | — | — | US | disclosed |