Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 10/20 | 0.41 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.36 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.36 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.36 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28060538 | 0.98 | SLC6A9 (0.40) | SLC6A9SLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL19716570 | 0.89 | SLC6A9 (0.39) | SLC6A9SLC6A1GABRA5GABRB2SLC6A12 | |
| SCHEMBL1666880 | 0.85 | DPP4 (0.33) | DPP4HTR2C | |
| SCHEMBL5900537 | 0.84 | DPP4 (0.32) | DPP4 | |
| Hydrochloric Acid SCHEMBL3182976 | 0.82 | DPP4 (0.34) | DPP4 | |
| SCHEMBL5507957 | 0.82 | HRH3 (0.37) | SLC6A1GABRA5GABRB2SLC6A12SLC6A11 | |
| Hydrochloric Acid SCHEMBL3182984 | 0.82 | DPP4 (0.34) | DPP4 | |
| SCHEMBL28131298 | 0.81 | — | — | |
| SCHEMBL27841937 | 0.81 | — | — | |
| SCHEMBL28129002 | 0.81 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1748984-A1 | PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS | Pfizer Products Inc. (US) | 2007-02-07 | — | — | EP | disclosed |
| EP-1622620-A1 | QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER | AstraZeneca AB (SE) | 2006-02-08 | — | — | EP | disclosed |
| WO-2005110987-A1 | PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2005-11-24 | — | — | WO | disclosed |
| WO-2004096226-A1 | QUINAZOLINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2004-11-11 | — | — | WO | disclosed |