Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | ALB | P02768 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9351898 | 1.00 | CA12 (0.55) | CA12CA9CA1ALDH1A1KDM4E | |
| Water SCHEMBL9761345 | 0.99 | CA12 (0.54) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL8903474 | 0.89 | ALDH1A1 (0.58) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL8614636 | 0.89 | ALDH1A1 (0.58) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL8611144 | 0.89 | CA12 (0.52) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL8621607 | 0.89 | CA12 (0.52) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL8611276 | 0.84 | CA12 (0.47) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL10879803 | 0.81 | ALDH1A1 (0.67) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL8620142 | 0.77 | CA12 (0.67) | CA12CA9CA1ALDH1A1KDM4E | |
| Hydrogen Sulfide SCHEMBL8625831 | 0.76 | CA12 (0.65) | CA12CA9CA1ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5770701-A | Process for preparing targeted forms of methyltrithio antitumor agents | AMERICAN CYANAMID COMPANY (US) | 1998-06-23 | — | — | US | claimed |
| EP-0313873-B1 | Targeted forms of methyltrithio antitumor agents | AMERICAN CYANAMID CO (US) | 1994-09-28 | — | — | EP | disclosed |
| US-5053394-A | Protein-drug reaction product | AMERICAN CYANAMID COMPANY (US) | 1991-10-01 | — | — | US | disclosed |