Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14703937 | 0.82 | HTT (0.37) | HTTKMT2AATRGRM5MAPK1 | |
| SCHEMBL8055545 | 0.80 | CCR4 (0.38) | HTTKMT2AATRMAPKAPK2 | |
| SCHEMBL1585295 | 0.80 | ATR (0.37) | HTTKMT2AATRGRM5MAPK1 | |
| SCHEMBL30427027 | 0.80 | CCR4 (0.38) | HTTKMT2AATRMAPKAPK2 | |
| SCHEMBL25225301 | 0.78 | CCR4 (0.32) | — | |
| SCHEMBL30497655 | 0.78 | CCR4 (0.32) | — | |
| Hydrochloric Acid SCHEMBL30450382 | 0.77 | CCR4 (0.31) | — | |
| SCHEMBL27870217 | 0.77 | HTT (0.33) | HTTKMT2AATR | |
| SCHEMBL20839003 | 0.77 | ADORA2A (0.35) | HTTKMT2AATR | |
| Hydrochloric Acid SCHEMBL25225244 | 0.77 | CCR4 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5002944-A | Compounds having cardiotonic activity | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1991-03-26 | — | — | US | disclosed |
| EP-0333727-A1 | HETEROCYCLIC SUBSTITUTED BICYCLOUREAS HAVING CARDIOTONIC ACTIVITY | RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation) (US) | 1989-09-27 | — | — | EP | disclosed |
| US-4859672-A | Pyrido[2,3-d]pyrimidinone and imidazo[4,5-b]pyrimidinone | RORER PHARMACEUTICAL CORPORATION (US) | 1989-08-22 | — | — | US | disclosed |
| WO-1988003025-A1 | HETEROCYCLIC SUBSTITUTED BICYCLOUREAS HAVING CARDIOTONIC ACTIVITY | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1988-05-05 | — | — | WO | disclosed |