Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10916900 | 0.85 | CXCR3 (0.53) | CXCR3ALDH1A1ALOX15SMN1; SMN2PKM | |
| SCHEMBL23348211 | 0.81 | CXCR3 (0.50) | CXCR3ALDH1A1ALOX15SMN1; SMN2PKM | |
| SCHEMBL10267683 | 0.80 | ALDH1A1 (0.47) | CXCR3ALDH1A1ALOX15HRH3SMN1; SMN2 | |
| SCHEMBL14856097 | 0.79 | — | — | |
| SCHEMBL18773758 | 0.79 | CXCR3 (0.47) | CXCR3ALDH1A1ALOX15HRH3SMN1; SMN2 | |
| SCHEMBL20144882 | 0.78 | CXCR3 (0.51) | CXCR3ALDH1A1ALOX15SMN1; SMN2PKM | |
| SCHEMBL12453094 | 0.78 | CXCR3 (0.55) | CXCR3ALDH1A1ALOX15SMN1; SMN2PKM | |
| SCHEMBL774685 | 0.75 | — | — | |
| SCHEMBL177129 | 0.75 | — | — | |
| SCHEMBL30258320 | 0.74 | CXCR3 (0.44) | CXCR3ALDH1A1ALOX15SMN1; SMN2RAB9A |
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-0799819-B1 | 1-Dimethylaminomethyl 2-phenyl cycloalk-2-ene derivatives with analgesic activity | GRUENENTHAL GMBH (DE) | 2002-09-11 | — | — | EP | disclosed |