Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.35 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL27890515 | 0.86 | MEN1 (0.42) | KMT2APPARGPPARAMEN1CNR1 | |
| SCHEMBL28299259 | 0.80 | ALOX5 (0.46) | KMT2AMEN1POLBCYP2C9CYP1A2 | |
| SCHEMBL27745564 | 0.80 | CYP3A4 (0.40) | KMT2APPARGPPARAMEN1POLB | |
| SCHEMBL16036062 | 0.80 | KMT2A (0.46) | KMT2APPARGPPARAMEN1POLB | |
| SCHEMBL4130129 | 0.75 | KMT2A (0.41) | KMT2APPARGPPARAMEN1POLB | |
| Chlorobenzene SCHEMBL27484099 | 0.73 | KMT2A (0.42) | KMT2APPARGPPARAMEN1CYP3A4 | |
| SCHEMBL1980002 | 0.72 | KMT2A (0.55) | KMT2APPARGPPARAMEN1POLB | |
| 4-Chloroaniline SCHEMBL27831633 | 0.72 | MAOA (0.44) | KMT2APPARAMEN1CYP3A4CYP2C9 | |
| SCHEMBL27647920 | 0.72 | POLB (0.49) | KMT2AMEN1POLBCYP3A4CYP2C9 | |
| SCHEMBL5241824 | 0.71 | ADRB2 (0.48) | CYP3A4CYP2C9CYP1A2CYP2D6NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101479263-A | Pharmaceutical compounds | ASTEX THERAPEUTICS LTD (GB) | 2009-07-08 | — | — | CN | disclosed |