Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 6/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8649552 | 0.99 | ROCK1 (0.46) | ROCK1EGFRHTTSMN1; SMN2RPS6KB1 | |
| SCHEMBL8648167 | 0.92 | ROCK1 (0.47) | ROCK1EGFRHTTSMN1; SMN2RPS6KB1 | |
| SCHEMBL9115422 | 0.88 | ROCK1 (0.44) | ROCK1EGFRHTTSMN1; SMN2RPS6KB1 | |
| SCHEMBL9116362 | 0.88 | EGFR (0.47) | ROCK1EGFRHTTSMN1; SMN2CSF1R | |
| SCHEMBL8650186 | 0.86 | CYP1A2 (0.52) | ROCK1EGFRHTTCSF1RCYP1A2 | |
| SCHEMBL8646578 | 0.83 | EGFR (0.46) | EGFRHTTCSF1RCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8647893 | 0.81 | EGFR (0.47) | ROCK1EGFRHTTSMN1; SMN2RPS6KB1 | |
| SCHEMBL8651028 | 0.81 | EGFR (0.48) | EGFRHTTSMN1; SMN2RPS6KB1CSF1R | |
| SCHEMBL7499713 | 0.80 | RPS6KB1 (0.44) | ROCK1HTTSMN1; SMN2RPS6KB1CSF1R | |
| SCHEMBL8650199 | 0.80 | EGFR (0.49) | ROCK1EGFRHTTCSF1RCYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5736534-A | HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA | PFIZER INC. (US) | 1998-04-07 | — | — | US | disclosed |
| CN-1141633-A | 4-heterocyclic substituted quinazoline derivatives, process for their preparation and their use as anticancer agents | PFIZER (US) | 1997-01-29 | — | — | CN | disclosed |