Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.71 |
| ▸ | HPGD | P15428 | 6/20 | 0.71 |
| ▸ | RAB9A | P51151 | 4/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.71 |
| ▸ | NPC1 | O15118 | 3/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.71 |
| ▸ | CA12 | O43570 | 4/20 | 0.61 |
| ▸ | CA9 | Q16790 | 4/20 | 0.61 |
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | CASP3 | P42574 | 1/20 | 0.61 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.61 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.61 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 3/20 | 0.60 |
| ▸ | GLA | P06280 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | ALB | P02768 | 4/20 | 0.57 |
| ▸ | MAOB | P27338 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL10879803 | 0.85 | ALDH1A1 (0.67) | ALDH1A1KDM4EHPGDRAB9AHSD17B10 | |
| SCHEMBL12987100 | 0.83 | ALDH1A1 (1.00) | ALDH1A1KDM4EHPGDRAB9AHSD17B10 | |
| SCHEMBL8614636 | 0.82 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDRAB9AHSD17B10 | |
| SCHEMBL8903474 | 0.82 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDRAB9AHSD17B10 | |
| SCHEMBL29673209 | 0.82 | CA12 (0.72) | ALDH1A1KDM4EHPGDRAB9AHSD17B10 | |
| SCHEMBL1034943 | 0.82 | CA12 (0.72) | ALDH1A1KDM4EHPGDRAB9AHSD17B10 | |
| SCHEMBL20323086 | 0.82 | RAB9A (0.54) | ALDH1A1KDM4EHPGDRAB9AHSD17B10 | |
| SCHEMBL22501612 | 0.82 | CA12 (0.64) | ALDH1A1KDM4EHPGDRAB9AHSD17B10 | |
| SCHEMBL11224072 | 0.81 | ALDH1A1 (0.77) | ALDH1A1KDM4EHPGDRAB9AHSD17B10 | |
| SCHEMBL24589798 | 0.80 | CA12 (0.68) | ALDH1A1KDM4EHPGDRAB9AHSD17B10 |
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 7 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 | disclosed |
| US-5770710-A | REACTING METHYLTRITHIO ANTIBIOTIC LL-E32288 DERIVATIVE WITH MERCAPTAN COMPOUND | AMERICAN CYANAMID COMPANY (US) | 1998-06-23 | — | — | US | disclosed |
| US-5606040-A | DERIVATIZED OLIGOSACCHARIDE ANTIBIOTICS WITH CHROMOPHORE | AMERICAN CYANAMID COMPANY (US) | 1997-02-25 | — | — | US | disclosed |
| 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 |
| EP-0392384-A2 | Targeted forms of methyltrithio antitumor agents | AMERICAN CYANAMID COMPANY (US) | 1990-10-17 | — | — | EP | disclosed |
| EP-0313873-A1 | Targeted forms of methyltrithio antitumor agents | AMERICAN CYANAMID COMPANY (US) | 1989-05-03 | — | — | EP | disclosed |