Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 3/20 | 0.52 |
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6785307 | 0.92 | HTR2C (0.54) | CYP2D6SLC6A2SLC6A4SLC6A3HTR2C | |
| Bicarbonate SCHEMBL6716536 | 0.86 | HTR2C (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3HTR2C | |
| Bicarbonate SCHEMBL6716542 | 0.86 | HTR2C (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3HTR2C | |
| Bicarbonate SCHEMBL6716532 | 0.85 | CYP2D6 (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3HTR2C | |
| SCHEMBL1531299 | 0.84 | TDP1 (0.57) | CHRNB4CHRNA3HTTTDP1ALDH1A1 | |
| SCHEMBL22609007 | 0.80 | CHRNB4 (0.55) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL7898068 | 0.77 | HTR2C (0.60) | HTR2AHTR2CPDE4B | |
| Hydrochloric Acid SCHEMBL23326197 | 0.76 | HTR2C (0.58) | HTR2AHTR2CPDE4B | |
| Hydrochloric Acid SCHEMBL29775341 | 0.76 | HTR2C (0.58) | HTR2AHTR2CPDE4B | |
| SCHEMBL18952921 | 0.75 | CHRNB4 (0.50) | CYP2D6SLC6A2SLC6A4SLC6A3CHRNB4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004010943-A2 | SUBSTITUTED BENZANILIDES AS MODULATORS OF THE CCR5 RECEPTOR | SMITHKLINE BEECHAM CORPORATION (US) | 2004-02-05 | — | — | WO | disclosed |
| EP-0380063-B1 | 1,2-CYCLOHEXYLAMINOARYL AMIDES USEFUL AS ANALGESIC AGENTS | WARNER-LAMBERT COMPANY (US) | 1993-07-21 | — | — | EP | disclosed |
| US-5019588-A | Nonhabit-forming analgeiscs | WARNER-LAMBERT COMPANY (US) | 1991-05-28 | — | — | US | disclosed |
| EP-0380063-A1 | 1,2-cyclohexylaminoaryl amides useful as analgesic agents | WARNER-LAMBERT COMPANY (US) | 1990-08-01 | — | — | EP | disclosed |
| US-4906655-A | Novel 1,2-cyclohexylaminoaryl amides useful as analgesic agents | WARNER-LAMBERT COMPANY (US) | 1990-03-06 | — | — | US | disclosed |