Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 19/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 19/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 13/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CHRND | Q07001 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7493644 | 0.86 | SLC6A4 (0.38) | SLC6A2SLC6A4SLC6A3CHRNA1CHRNG | |
| SCHEMBL7492588 | 0.83 | SLC6A2 (0.34) | SLC6A2SLC6A4SLC6A3CHRNA1CHRNG | |
| SCHEMBL380891 | 0.82 | DUT (0.30) | SLC6A2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL27397568 | 0.77 | SLC6A4 (0.40) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27397569 | 0.75 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4630781 | 0.73 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6999461 | 0.72 | SLC6A4 (0.41) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6200549 | 0.71 | CCR5 (0.41) | SLC6A2SLC6A4 | |
| SCHEMBL7499000 | 0.71 | CCR5 (0.41) | SLC6A2SLC6A4 | |
| SCHEMBL13926751 | 0.71 | TOP2A (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6448247-B1 | TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) | SANKYO COMPANY, LIMITED (JP) | 2002-09-10 | — | — | US | disclosed |
| US-6159967-A | Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use | SANKYO COMPANY, LIMITED (JP) | 2000-12-12 | — | — | US | disclosed |