Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9469276 | 1.00 | ALDH1A1 (0.37) | ALDH1A1TDP1CA2CHRM2CHRM4 | |
| SCHEMBL9469289 | 0.80 | ACACB (0.36) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL9469290 | 0.80 | ACACB (0.36) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL3114556 | 0.78 | GAA (0.42) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL10106488 | 0.77 | ALDH1A1 (0.43) | ALDH1A1TDP1CA2 | |
| SCHEMBL7748183 | 0.75 | GAA (0.33) | — | |
| SCHEMBL2268664 | 0.72 | — | — | |
| SCHEMBL2921409 | 0.72 | — | — | |
| SCHEMBL2267011 | 0.72 | — | — | |
| SCHEMBL11890386 | 0.71 | ALDH1A1 (0.39) | ALDH1A1TDP1CA2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5217713-A | Anticancer agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-06-08 | — | — | US | disclosed |
| US-5141736-A | Complexed with ansamitocin | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-08-25 | — | — | US | disclosed |
| EP-0376176-A2 | Bispecific monoclonal antibody, its production and use | Takeda Chemical Industries, Ltd. (JP) | 1990-07-04 | — | — | EP | disclosed |
| EP-0065730-B1 | 9-THIOMAYTANSINOIDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1986-09-10 | — | — | EP | disclosed |
| US-4424219-A | ANTITUMOR AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1984-01-03 | — | — | US | disclosed |
| US-4371533-A | ANTITUMOR, ANTIPROTOZOA AND ANTIFUNGAL AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1983-02-01 | — | — | US | disclosed |
| EP-0065730-A1 | 9-Thiomaytansinoids, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1982-12-01 | — | — | EP | disclosed |
| EP-0049528-A1 | 4,5-Deoxymaytansinoids, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1982-04-14 | — | — | EP | disclosed |
| US-4256746-A | ANTITUMOR AGENTS; MICROBIOCIDES; MITOSIS | TAKEDA CHEMICAL INDUSTRIES (JP) | 1981-03-17 | — | — | US | disclosed |
| EP-0011277-A1 | Dechloromaytansinoids, their production and use and pharmaceutical compositions containing them | Takeda Chemical Industries, Ltd. (JP) | 1980-05-28 | — | — | EP | disclosed |