Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5706585 | 0.80 | NOS3 (0.33) | NOS3NOS1NOS2 | |
| SCHEMBL530203 | 0.77 | HTR6 (0.33) | HTR6 | |
| SCHEMBL7337539 | 0.71 | CYP1A2 (0.35) | NOS3NOS1NOS2MAOACYP1A2 | |
| SCHEMBL2461757 | 0.64 | HTR6 (0.33) | HTR6CYP1A2 | |
| Hydrochloric Acid SCHEMBL7370281 | 0.62 | HTR6 (0.33) | HTR6CYP1A2 | |
| SCHEMBL11611587 | 0.61 | CYP1A2 (0.33) | HTR6CYP1A2 | |
| SCHEMBL10677670 | 0.61 | HTR6 (0.32) | HTR6CYP1A2 | |
| SCHEMBL11880028 | 0.60 | HTR6 (0.31) | HTR6 | |
| SCHEMBL6672436 | 0.58 | CYP1A2 (0.35) | CYP1A2 | |
| SCHEMBL3649668 | 0.58 | MAOB (0.38) | NOS3NOS1NOS2MAOACYP1A2 |
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-5716954-A | ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES | SYNTEX U.S.A. INC. (US) | 1998-02-10 | — | — | US | disclosed |
| EP-0681582-A1 | PYRAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-15 | — | — | EP | disclosed |
| EP-0612321-A1 | PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY | SYNTEX (U.S.A.) INC. (US) | 1994-08-31 | — | — | EP | disclosed |
| WO-1993007146-A1 | BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY | SYNTEX (U.S.A.) INC. (US) | 1993-04-15 | — | — | WO | disclosed |