Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MME | P08473 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL4327979 | 1.00 | CYP3A4 (0.63) | CYP3A4CYP2C9AKR1C3RECQLAKR1C1 | |
| SCHEMBL781849 | 1.00 | CYP3A4 (0.63) | CYP3A4CYP2C9AKR1C3RECQLAKR1C1 | |
| SCHEMBL8865069 | 0.89 | TP53 (0.59) | CYP3A4CYP2C9AKR1C3RECQLAKR1C1 | |
| SCHEMBL8865055 | 0.89 | TP53 (0.59) | CYP3A4CYP2C9AKR1C3RECQLAKR1C1 | |
| SCHEMBL8864851 | 0.84 | CYP3A4 (0.47) | CYP3A4CYP2C9AKR1C3HTTMEN1 | |
| SCHEMBL8864844 | 0.84 | CYP3A4 (0.47) | CYP3A4CYP2C9AKR1C3HTTMEN1 | |
| SCHEMBL2347233 | 0.84 | CYP3A4 (0.50) | CYP3A4CYP2C9AKR1C3RECQLAKR1C1 | |
| SCHEMBL8575022 | 0.84 | CYP3A4 (0.59) | CYP3A4CYP2C9AKR1C3RECQLAKR1C1 | |
| SCHEMBL7826083 | 0.84 | CYP3A4 (0.47) | CYP3A4CYP2C9AKR1C3RECQLAKR1C1 | |
| SCHEMBL7826086 | 0.84 | CYP3A4 (0.47) | CYP3A4CYP2C9AKR1C3RECQLAKR1C1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1000024-A1 | MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999006365-A1 | MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1999-02-11 | — | — | WO | disclosed |
| US-5378711-A | α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds | BASF AKTIENGESELLSCHAFT (DE) | 1995-01-03 | — | — | US | disclosed |
| US-5326767-A | α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds | BASF AKTIENGESELLSCHAFT (DE) | 1994-07-05 | — | — | US | disclosed |
| US-5194438-A | Plant safe fungicides | BASF AKTIENGESELLSCHAFT (DE) | 1993-03-16 | — | — | US | disclosed |
| US-5157037-A | α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds | BASF AKTIENGESELLSCHAFT (DE) | 1992-10-20 | — | — | US | disclosed |