Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MLNR | O43193 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL11293531 | 0.74 | THRB (0.31) | LMNATHRBTDP1MEN1BLM | |
| SCHEMBL11292078 | 0.72 | PGR (0.33) | PGR | |
| SCHEMBL7258801 | 0.72 | APOBEC3A (0.48) | ALDH1A1ITGA4LMNAPGRTDP1 | |
| SCHEMBL29374343 | 0.72 | APOBEC3A (0.48) | ALDH1A1ITGA4LMNAPGRTDP1 | |
| SCHEMBL11354579 | 0.71 | PGR (0.35) | ALDH1A1PGR | |
| SCHEMBL23292666 | 0.68 | KDM4E (0.38) | ALDH1A1ITGA4TYMSLMNATDP1 | |
| SCHEMBL11294332 | 0.68 | S100A4 (0.33) | ALDH1A1ITGA4HTTPGRTHRB | |
| SCHEMBL31563811 | 0.68 | PDK2 (0.35) | ALDH1A1TYMSLMNATHRBTDP1 | |
| SCHEMBL22172193 | 0.68 | PDK2 (0.34) | ALDH1A1ITGA4PGRTDP1S100A4 | |
| SCHEMBL29840752 | 0.68 | KDM4E (0.38) | ALDH1A1ITGA4TYMSLMNATDP1 |
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-0000825-B1 | GEMINALLY DISUBSTITUTED INDENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Kabi AB (SE) | 1982-04-14 | — | — | EP | disclosed |
| US-4218472-A | USED AS DECONGESANT, HYPOTENSIVE AGENT, VASOCONSTRICTOR, ANTI-RESERPINE AGENT, TREATING INCONTINENCE | AB KABI (SE) | 1980-08-19 | — | — | US | disclosed |
| EP-0000825-A1 | Geminally disubstituted indene derivatives, processes for their preparation and pharmaceutical compositions containing them | Kabi AB (SE) | 1979-02-21 | — | — | EP | disclosed |