Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17402435 | 0.88 | CYP3A4 (0.57) | CYP3A4ACHEALOX15CHRM1MAOA | |
| SCHEMBL1109757 | 0.81 | RAPGEF4 (0.38) | ACHESMN1; SMN2TDP1ALDH1A1MEN1 | |
| SCHEMBL9742562 | 0.76 | CYP3A4 (0.56) | CYP3A4ACHESMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL2045702 | 0.75 | ALDH1A1 (0.35) | CYP3A4ACHEALDH1A1CA1CA2 | |
| SCHEMBL18950230 | 0.74 | CYP3A4 (0.46) | CYP3A4ACHEALOX15CHRM1MAOA | |
| SCHEMBL2380154 | 0.74 | CYP3A4 (0.61) | CYP3A4ACHEALOX15CHRM1MAOA | |
| SCHEMBL24146231 | 0.73 | CYP3A4 (0.48) | CYP3A4SMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL7909355 | 0.73 | ACHE (0.39) | CYP3A4ACHEALOX15TDP1ALDH1A1 | |
| SCHEMBL27363107 | 0.73 | CYP3A4 (0.44) | CYP3A4ACHEALOX15CHRM1MAOA | |
| SCHEMBL20133820 | 0.72 | — | — |
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-6211328-B1 | IN PRESENCE OF AN ACID | GUN EI CHEMICAL INDUSTRY CO., LTD (JP) | 2001-04-03 | — | — | US | disclosed |