Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13479749 | 0.94 | ALDH1A1 (0.49) | ALDH1A1HSD17B10CA2RARBTHRA | |
| SCHEMBL21089 | 0.81 | MIF (0.44) | ALDH1A1HPGDCYP3A4 | |
| SCHEMBL4881618 | 0.81 | MIF (0.55) | ALDH1A1HSD17B10HPGDCA2SMN1; SMN2 | |
| SCHEMBL19832685 | 0.81 | MIF (0.33) | ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL20766276 | 0.80 | KDM4E (0.47) | ALDH1A1CA2SMN1; SMN2CA1KDM4E | |
| SCHEMBL1456990 | 0.79 | CYP2A6 (0.41) | ALDH1A1HPGDCA2PLK1CYP3A4 | |
| SCHEMBL2983108 | 0.79 | NAAA (0.47) | ALDH1A1HSD17B10ESR1ADRA2AADORA3 | |
| Water SCHEMBL14972874 | 0.79 | MIF (0.43) | ALDH1A1HPGDCYP3A4 | |
| SCHEMBL22471901 | 0.79 | MIF (0.43) | ALDH1A1HPGDCYP3A4 | |
| Water SCHEMBL29040332 | 0.79 | MIF (0.43) | ALDH1A1HPGDCYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1861357-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2007-12-05 | — | — | EP | disclosed |
| CN-1863777-A | Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor | ABBOTT LAB (US) | 2006-11-15 | — | — | CN | disclosed |
| WO-2006101318-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2006-09-28 | — | — | WO | disclosed |