Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8703432 | 0.86 | ESR1 (0.64) | ESR1ESR2NPC1RAB9ATDP1 | |
| SCHEMBL27597150 | 0.80 | ESR1 (0.64) | ESR1ESR2NPC1RAB9ATDP1 | |
| SCHEMBL19439130 | 0.80 | ESR1 (0.69) | ESR1ESR2NPC1RAB9ATDP1 | |
| SCHEMBL6257548 | 0.79 | KDM6B (0.46) | NPC1RAB9AKMT2ATSHRSMN1; SMN2 | |
| SCHEMBL14219781 | 0.79 | LMNA (0.73) | ESR1ESR2NPC1RAB9ATDP1 | |
| Bromide SCHEMBL29099292 | 0.79 | ESR1 (0.67) | ESR1ESR2NPC1RAB9ATDP1 | |
| SCHEMBL4859826 | 0.79 | ESR1 (0.52) | ESR1ESR2NPC1RAB9ATDP1 | |
| SCHEMBL6260897 | 0.79 | NAMPT (0.39) | ESR1ESR2NPC1RAB9ATDP1 | |
| Phenethyl Benzoate SCHEMBL168823 | 0.78 | ESR1 (0.80) | ESR1ESR2NPC1RAB9ATDP1 | |
| Phenethyl Benzoate SCHEMBL4351681 | 0.78 | ESR1 (0.80) | ESR1ESR2NPC1RAB9ATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5834468-A | ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANALGESICS TREATING RHEUMATIC DISEASE, BONE DISORDER, INJURIES | ZENECA LIMITED (GB) | 1998-11-10 | — | — | US | disclosed |