Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.51 |
| ▸ | CA9 | Q16790 | 4/20 | 0.51 |
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14786106 | 0.81 | CA12 (0.63) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL8621477 | 0.75 | CA12 (0.52) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL8611144 | 0.75 | CA12 (0.52) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL8621607 | 0.75 | CA12 (0.52) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL29664310 | 0.71 | CA12 (0.64) | CA12CA9CA1ALDH1A1KDM4E | |
| Hymecromone SCHEMBL27946426 | 0.69 | KDM4E (0.56) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL8516165 | 0.69 | CA12 (1.00) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL30449676 | 0.69 | CA12 (1.00) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL3340356 | 0.69 | KDM4E (0.64) | CA12CA9CA1ALDH1A1KDM4E | |
| SCHEMBL22882757 | 0.69 | CA12 (0.62) | 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 2 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 |