Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 9/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.32 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.32 |
| ▸ | CHRNG | P07510 | 1/20 | 0.32 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | CHRND | Q07001 | 1/20 | 0.32 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8128743 | 1.00 | ALDH1A1 (0.36) | ALDH1A1P2RX7SLC6A4SLC6A3KMT2A | |
| SCHEMBL5901153 | 0.86 | SLC6A4 (0.43) | SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL27528569 | 0.86 | SLC6A4 (0.43) | SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL5900846 | 0.84 | SLC6A3 (0.37) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG | |
| SCHEMBL8151791 | 0.84 | SLC6A3 (0.37) | SLC6A4SLC6A3SLC6A2CHRNA1CHRNG | |
| SCHEMBL8147978 | 0.76 | SLC6A4 (0.46) | ALDH1A1P2RX7SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL8147976 | 0.76 | SLC6A4 (0.46) | ALDH1A1P2RX7SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL8122283 | 0.66 | ALDH1A1 (0.48) | ALDH1A1SLC6A4SLC6A3KMT2ACNR1 | |
| SCHEMBL7811639 | 0.65 | SLC6A4 (0.61) | SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL8151444 | 0.65 | CHRM2 (0.50) | ALDH1A1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0992493-A1 | Substituted benzoylpiperidine derivatives and their use as Neurokinin antagonists | PFIZER INC. (US) | 2000-04-12 | — | — | EP | disclosed |