Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL219563 | 0.97 | — | — | |
| SCHEMBL13678755 | 0.91 | ALDH1A1 (0.55) | ALDH1A1TDP1CYP3A4TSHRDNM1 | |
| SCHEMBL516454 | 0.88 | ALDH1A1 (0.52) | ALDH1A1TDP1CYP3A4TSHRDNM1 | |
| SCHEMBL3614645 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRDNM1 | |
| SCHEMBL185477 | 0.86 | — | — | |
| SCHEMBL3622973 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRDNM1 | |
| SCHEMBL589418 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRDNM1 | |
| SCHEMBL22882627 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRDNM1 | |
| SCHEMBL21753957 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRDNM1 | |
| SCHEMBL6901715 | 0.86 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRDNM1 |
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-5886185-A | ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS | DEVELOPMENT CENTER FOR BIOTECHNOLOY (TW) | 1999-03-23 | — | — | US | disclosed |