Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 4/20 | 0.41 |
| ▸ | CDK4 | P11802 | 2/20 | 0.39 |
| ▸ | CCND1 | P24385 | 2/20 | 0.39 |
| ▸ | CCND2 | P30279 | 2/20 | 0.39 |
| ▸ | CCND3 | P30281 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | WEE1 | P30291 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 2/20 | 0.38 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
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 SCHEMBL8561027 | 0.98 | HRH3 (0.48) | HRH3ESR1KDRSRCCDK4 | |
| SCHEMBL9540620 | 0.93 | HRH3 (0.46) | HRH3ESR1KDRSRCABL1 | |
| SCHEMBL8559967 | 0.84 | PDGFRA (0.48) | SRCABL1LCKEHMT2 | |
| Water SCHEMBL8328226 | 0.83 | PDGFRA (0.47) | LCKEHMT2 | |
| Hydrochloric Acid SCHEMBL8566059 | 0.83 | HTT (0.50) | LCKEHMT2 | |
| SCHEMBL8560347 | 0.81 | ERBB2 (0.52) | KDREHMT2 | |
| SCHEMBL8567323 | 0.81 | MAPKAPK2 (0.46) | KDRCDK4LCKEHMT2 | |
| Hydrochloric Acid SCHEMBL8566240 | 0.81 | ERBB2 (0.51) | KDREHMT2 | |
| SCHEMBL8565911 | 0.79 | CDK4 (0.39) | KDRCDK4ABL1LCKEHMT2 | |
| SCHEMBL8327641 | 0.79 | POLB (0.37) | SRCABL1LCKEHMT2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0618916-B1 | ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES | KNOLL AG (DE) | 1998-09-23 | — | — | EP | disclosed |
| US-5464781-A | TREATING RHEUMATIC DISEASES | THE BOOTS COMPANY PLC (GB) | 1995-11-07 | — | — | US | disclosed |
| EP-0618916-A1 | ANTI-RHEUMATIC NAPHTHYRIDINE DERIVATIVES | Knoll AG (DE) | 1994-10-12 | — | — | EP | disclosed |