Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7860072 | 0.98 | TAAR1 (0.55) | TAAR1SLC6A4SLC6A3SLC6A2CYP3A4 | |
| SCHEMBL9160258 | 0.82 | NPC1 (0.53) | SLC6A4SLC6A3SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL14258115 | 0.80 | PTPN1 (0.46) | SLC6A4SLC6A3SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL15124425 | 0.80 | SHBG (0.48) | SLC6A4SLC6A3SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL16312715 | 0.80 | CYP3A4 (0.42) | SLC6A4SLC6A3SLC6A2CYP3A4CYP2D6 | |
| SCHEMBL11275540 | 0.79 | TAAR1 (0.42) | TAAR1SLC6A4SLC6A3SLC6A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL11280093 | 0.79 | TAAR1 (0.42) | TAAR1SLC6A4SLC6A3SLC6A2CYP3A4 | |
| SCHEMBL11280334 | 0.78 | CYP3A4 (0.44) | TAAR1CYP3A4CYP1A2 | |
| Bromide SCHEMBL11275781 | 0.78 | TAAR1 (0.41) | TAAR1SLC6A4SLC6A3SLC6A2CYP3A4 | |
| SCHEMBL15558923 | 0.78 | CYP3A4 (0.44) | SLC6A4SLC6A3SLC6A2CYP3A4CYP2D6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1070048-A4 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2001-11-07 | — | — | EP | claimed |
| EP-1070048-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-01-24 | — | — | EP | claimed |
| WO-1999051569-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-10-14 | — | — | WO | claimed |
| WO-2004069793-A2 | NOVEL 2-SUBSTITUTED CYCLIC AMINES AS CALCIUM SENSING RECEPTOR MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-08-19 | — | — | WO | disclosed |
| EP-1070048-A4 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2001-11-07 | — | — | EP | disclosed |
| EP-1070048-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999051569-A1 | CALCILYTIC COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-10-14 | — | — | WO | disclosed |
| EP-0901459-A1 | CALCILYTIC COMPOUNDS | NPS PHARMACEUTICALS, INC. (US) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997037967-A1 | CALCILYTIC COMPOUNDS | NPS PHARMACEUTICALS, INC. (US) | 1997-10-16 | — | — | WO | disclosed |