Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.51 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.43 |
| ▸ | LDHB | P07195 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6859634 | 1.00 | TDP1 (0.59) | TDP1PIM2LMNACYP2C9KCNQ3 | |
| SCHEMBL6859640 | 1.00 | TDP1 (0.59) | TDP1PIM2LMNACYP2C9KCNQ3 | |
| SCHEMBL6647292 | 0.88 | TDP1 (0.63) | TDP1LMNACYP2C9KCNQ3KCNQ2 | |
| SCHEMBL6625980 | 0.88 | TDP1 (0.63) | TDP1LMNACYP2C9KCNQ3KCNQ2 | |
| SCHEMBL30794838 | 0.88 | TDP1 (0.63) | TDP1LMNACYP2C9KCNQ3KCNQ2 | |
| SCHEMBL6647302 | 0.88 | TDP1 (0.63) | TDP1LMNACYP2C9KCNQ3KCNQ2 | |
| SCHEMBL6647298 | 0.88 | TDP1 (0.63) | TDP1LMNACYP2C9KCNQ3KCNQ2 | |
| SCHEMBL6669350 | 0.86 | PIM2 (0.44) | TDP1PIM2LDHALDHB | |
| SCHEMBL30795152 | 0.86 | PIM2 (0.44) | TDP1PIM2LDHALDHB | |
| SCHEMBL6669339 | 0.86 | PIM2 (0.44) | TDP1PIM2LDHALDHB |
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 |