Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | ESR1 | P03372 | 3/20 | 0.59 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6746496 | 0.81 | ESR2 (0.69) | ALDH1A1ESR1ESR2CYP3A4LMNA | |
| SCHEMBL75695 | 0.75 | ESR1 (1.00) | ALDH1A1ESR1ESR2CYP3A4LMNA | |
| SCHEMBL18476522 | 0.75 | ALDH1A1 (0.59) | ALDH1A1ESR1ESR2CYP3A4KMT2A | |
| SCHEMBL7377961 | 0.74 | CACNA1B (0.57) | ALDH1A1ESR1ESR2CYP3A4KMT2A | |
| SCHEMBL6748255 | 0.74 | ESR1 (0.54) | ALDH1A1ESR1ESR2CYP3A4KMT2A | |
| SCHEMBL311387 | 0.74 | ESR1 (0.56) | ALDH1A1ESR1ESR2CYP3A4KMT2A | |
| SCHEMBL3455343 | 0.73 | LTB4R2 (0.60) | ALDH1A1ESR1CYP3A4KMT2AMEN1 | |
| Acetic Acid SCHEMBL11110259 | 0.72 | ESR1 (0.93) | ALDH1A1ESR1ESR2CYP3A4LMNA | |
| SCHEMBL418472 | 0.72 | ALDH1A1 (0.50) | ALDH1A1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL6746508 | 0.72 | ESR2 (0.63) | ALDH1A1ESR1ESR2CYP3A4LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6124280-A | FOR TREATMENT OF NERVOUS SYSTEM DISORDERS | WARNER-LAMBERT COMPANY (US) | 2000-09-26 | — | — | US | disclosed |
| WO-1997005125-A1 | SUBSTITUTED PHENOLS AS NOVEL CALCIUM CHANNEL BLOCKERS | WARNER-LAMBERT COMPANY (US) | 1997-02-13 | — | — | WO | disclosed |