Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL10321032 | 0.86 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2 | |
| SCHEMBL5822962 | 0.84 | NOTUM (0.41) | ALDH1A1NPC1RAB9AMAPTTP53 | |
| SCHEMBL10254581 | 0.83 | TYMP (0.40) | ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2 | |
| SCHEMBL4026326 | 0.83 | ALDH1A1 (0.35) | ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL16176998 | 0.82 | TDP1 (0.46) | ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2 | |
| SCHEMBL18518447 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TDP1TSHRTP53 | |
| SCHEMBL4399156 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2 | |
| SCHEMBL4029411 | 0.79 | TDP1 (0.32) | ALDH1A1TDP1MAPTHSD17B10LMNA | |
| SCHEMBL20339943 | 0.79 | NPBWR1 (0.40) | ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL6611955 | 0.79 | FGFR1 (0.46) | CYP3A4TDP1TP53GAA |
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-0166533-A1 | Quinolone inotropic agents | Pfizer Limited (GB) | 1986-01-02 | — | — | EP | disclosed |