Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 2/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.42 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.42 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16282516 | 1.00 | KCNQ3 (0.42) | KCNQ3KCNQ2KCNQ4KCNQ5CYP3A4 | |
| SCHEMBL16277270 | 1.00 | KCNQ3 (0.42) | KCNQ3KCNQ2KCNQ4KCNQ5CYP3A4 | |
| SCHEMBL2772366 | 0.81 | TSHR (0.44) | CYP3A4CYP1A2TSHRHSD17B10CYP2D6 | |
| SCHEMBL7064464 | 0.81 | TSHR (0.44) | CYP3A4CYP1A2TSHRHSD17B10CYP2D6 | |
| SCHEMBL7060888 | 0.81 | TSHR (0.44) | CYP3A4CYP1A2TSHRHSD17B10CYP2D6 | |
| SCHEMBL2773433 | 0.81 | TSHR (0.44) | CYP3A4CYP1A2TSHRHSD17B10CYP2D6 | |
| SCHEMBL2772125 | 0.81 | TSHR (0.44) | CYP3A4CYP1A2TSHRHSD17B10CYP2D6 | |
| SCHEMBL2770246 | 0.79 | TSHR (0.52) | CYP3A4CYP1A2TSHRHSD17B10CYP2D6 | |
| SCHEMBL2774395 | 0.79 | TSHR (0.52) | CYP3A4CYP1A2TSHRHSD17B10CYP2D6 | |
| SCHEMBL7971333 | 0.79 | TSHR (0.52) | CYP3A4CYP1A2TSHRHSD17B10CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015123355-A1 | SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS | EOLAS THERAPEUTICS, INC. (US) | 2015-08-20 | — | — | WO | disclosed |