Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 11/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 10/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 10/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7954729 | 0.82 | SLC6A2 (0.42) | SLC6A2SLC6A3SLC6A4CYP2D6HTR2C | |
| SCHEMBL3980168 | 0.81 | SLC6A2 (0.40) | SLC6A2SLC6A4HTR2ADRD2HTR2C | |
| SCHEMBL8884024 | 0.79 | SLC6A2 (0.47) | SLC6A2SLC6A3SLC6A4CYP2D6HTR2A | |
| SCHEMBL6996455 | 0.78 | SLC6A2 (0.51) | SLC6A2SLC6A3SLC6A4CYP2D6HTR2A | |
| Hydrochloric Acid SCHEMBL6991487 | 0.76 | SLC6A2 (0.50) | SLC6A2SLC6A3SLC6A4CYP2D6HTR2A | |
| SCHEMBL6993490 | 0.75 | SLC6A3 (0.52) | SLC6A2SLC6A3SLC6A4CYP2D6KCNH2 | |
| SCHEMBL6993234 | 0.75 | SLC6A4 (0.56) | SLC6A2SLC6A3SLC6A4CYP2D6KCNH2 | |
| Hydrochloric Acid SCHEMBL7000511 | 0.74 | SLC6A4 (0.54) | SLC6A2SLC6A3SLC6A4CYP2D6KCNH2 | |
| SCHEMBL6997616 | 0.72 | SLC6A2 (0.42) | SLC6A2SLC6A3SLC6A4CYP2D6 | |
| SCHEMBL7961240 | 0.71 | SLC6A3 (0.54) | SLC6A2SLC6A3SLC6A4CYP2D6KCNH2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0696280-B1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL PHARMA INC (US) | 1997-09-24 | — | — | EP | disclosed |
| US-5661160-A | ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM | MERRELL PHARMACEUTICALS INC. (US) | 1997-08-26 | — | — | US | disclosed |
| US-5648366-A | TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA | MERRELL PHARMACEUTICALS INC. (US) | 1997-07-15 | — | — | US | disclosed |
| US-5635510-A | TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-06-03 | — | — | US | disclosed |
| EP-0696280-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMA (US) | 1996-02-14 | — | — | EP | disclosed |
| WO-1994026735-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-11-24 | — | — | WO | disclosed |