Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6851568 | 1.00 | TDP1 (0.45) | TDP1ROCK2LMNAKCNQ2CYP3A4 | |
| SCHEMBL6851565 | 1.00 | TDP1 (0.45) | TDP1ROCK2LMNAKCNQ2CYP3A4 | |
| SCHEMBL6626267 | 0.94 | TDP1 (0.47) | TDP1ROCK2LMNAKCNQ2CYP3A4 | |
| SCHEMBL6626270 | 0.94 | TDP1 (0.47) | TDP1ROCK2LMNAKCNQ2CYP3A4 | |
| SCHEMBL6626264 | 0.94 | TDP1 (0.47) | TDP1ROCK2LMNAKCNQ2CYP3A4 | |
| SCHEMBL30796029 | 0.94 | TDP1 (0.47) | TDP1ROCK2LMNAKCNQ2CYP3A4 | |
| SCHEMBL6629122 | 0.94 | TDP1 (0.47) | TDP1ROCK2LMNAKCNQ2CYP3A4 | |
| SCHEMBL6626118 | 0.92 | TDP1 (0.47) | TDP1ROCK2LMNAKCNQ2CYP3A4 | |
| SCHEMBL6626115 | 0.92 | TDP1 (0.47) | TDP1ROCK2LMNAKCNQ2CYP3A4 | |
| SCHEMBL6626121 | 0.92 | TDP1 (0.47) | TDP1ROCK2LMNAKCNQ2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6831080-B2 | E.g., 3-(2-fluorophenyl)-N-(1-(3-morpholin-4-yl)phenyl)-propyl)acrylamide; disorders responsive to opening of KCNQ potassium channels; analgesics; migraine, bipolar disorders, anticonvulsants, antiepileptic, anxiolytic agents | BRISTOL-MYERS SQUIBB COMPANY | 2004-12-14 | — | — | US | disclosed |