Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.36 |
| ▸ | GNAO1 | P09471 | 5/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 4/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | ZDHHC9 | Q9Y397 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15284196 | 0.98 | TAAR1 (0.47) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL8368109 | 0.97 | TAAR1 (0.46) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27911335 | 0.89 | TAAR1 (0.54) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4446755 | 0.88 | TAAR1 (0.53) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL250854 | 0.88 | TAAR1 (0.53) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6566400 | 0.86 | TAAR1 (0.52) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28011845 | 0.86 | TAAR1 (0.52) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27832364 | 0.86 | TAAR1 (0.52) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6439309 | 0.86 | TAAR1 (0.52) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7022097 | 0.86 | TAAR1 (0.52) | TAAR1CYP2D6SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6916797-B2 | α-arylethylpiperazine derivatives as neurokinin antagonists | UCB, S.A. (BE) | 2005-07-12 | — | — | US | claimed |
| EP-1242399-A1 | $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB S.A. (BE) | 2002-09-25 | — | — | EP | claimed |
| WO-2001046167-A1 | α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB, S.A. (BE) | 2001-06-28 | — | — | WO | claimed |
| EP-1242399-A1 | $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB S.A. (BE) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001046167-A1 | α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB, S.A. (BE) | 2001-06-28 | — | — | WO | disclosed |