Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.80 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | INSR | P06213 | 2/20 | 0.44 |
| ▸ | IGF1R | P08069 | 2/20 | 0.44 |
| ▸ | SRC | P12931 | 2/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29510426 | 0.89 | CYP3A4 (1.00) | CYP3A4CALM1ABCG2MAPTRAB9A | |
| SCHEMBL20959 | 0.89 | CYP3A4 (1.00) | CYP3A4CALM1ABCG2MAPTRAB9A | |
| Orthocresol SCHEMBL6766365 | 0.88 | CYP3A4 (0.67) | CYP3A4CALM1ABCG2MAPTRAB9A | |
| Methane SCHEMBL4169772 | 0.87 | CYP3A4 (0.95) | CYP3A4CALM1ABCG2MAPTRAB9A | |
| SCHEMBL3880539 | 0.85 | CYP3A4 (0.69) | CYP3A4CALM1MAPTRAB9AGAA | |
| 1-Naphthol SCHEMBL7527723 | 0.85 | CYP3A4 (0.62) | CYP3A4CALM1MAPTRAB9ANPC1 | |
| Formaldehyde SCHEMBL27904688 | 0.83 | CYP3A4 (0.87) | CYP3A4CALM1MAPTRAB9ANPC1 | |
| Formic Acid SCHEMBL7109456 | 0.80 | CYP3A4 (0.80) | CYP3A4CALM1MAPTRAB9ANPC1 | |
| Alcohol SCHEMBL8027238 | 0.80 | CYP3A4 (0.80) | CYP3A4CALM1MAPTRAB9ANPC1 | |
| Phosphoric Acid SCHEMBL2592727 | 0.80 | CYP3A4 (0.80) | CYP3A4CALM1MAPTRAB9AGAA |
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-20070190523-A1 | Method and compositions for identifying anti-hiv therapeutic compounds | GILEAD SCIENCES, INC. | 2007-08-16 | — | — | US | disclosed |