Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4015131 | 0.89 | CYP1A2 (0.61) | CYP1A2CYP2C9TDP1LMNAPIK3CA | |
| SCHEMBL9194077 | 0.85 | CYP1A2 (0.61) | CYP1A2CYP2C9LMNAMEN1KMT2A | |
| SCHEMBL19433083 | 0.83 | CYP1A2 (0.59) | CYP1A2CYP2C9MEN1KMT2AAPOBEC3A | |
| SCHEMBL11217225 | 0.83 | CYP1A2 (0.58) | CYP1A2CYP2C9TDP1LMNAMEN1 | |
| SCHEMBL5484470 | 0.82 | CYP1A2 (0.63) | CYP1A2CYP2C9MEN1KMT2AHSD17B10 | |
| SCHEMBL9875276 | 0.80 | CYP1A2 (0.55) | CYP1A2CYP2C9LMNAMEN1KMT2A | |
| P-Xylene SCHEMBL3752326 | 0.80 | CYP1A2 (0.70) | CYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL9436866 | 0.80 | CYP1A2 (0.59) | CYP1A2CYP2C9TDP1MEN1KMT2A | |
| SCHEMBL10752281 | 0.79 | CYP1A2 (0.58) | CYP1A2CYP2C9 | |
| SCHEMBL335422 | 0.78 | CYP1A2 (0.59) | CYP1A2CYP2C9LMNAKMT2ACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005117932-A1 | BISUBSTRATE INHIBITORS OF PROTEIN TYROSINE KINASES AS THERAPEUTIC AGENTS | THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) | 2005-12-15 | — | — | WO | disclosed |