Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3957944 | 1.00 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HSD11B1ADH1ACES2 | |
| SCHEMBL29217487 | 0.96 | ALDH1A1 (0.36) | ALDH1A1HSD17B10HSD11B1CES2CES1 | |
| SCHEMBL893232 | 0.96 | ALDH1A1 (0.36) | ALDH1A1HSD17B10HSD11B1CES2CES1 | |
| SCHEMBL358694 | 0.96 | ALDH1A1 (0.36) | ALDH1A1KMT2A | |
| SCHEMBL22129579 | 0.96 | ALDH1A1 (0.36) | ALDH1A1KMT2A | |
| SCHEMBL893554 | 0.92 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HSD11B1CES2CES1 | |
| SCHEMBL893375 | 0.92 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HSD11B1CES2CES1 | |
| SCHEMBL20455768 | 0.92 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HSD11B1CES2CES1 | |
| SCHEMBL18239998 | 0.92 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL892736 | 0.92 | ALDH1A1 (0.33) | ALDH1A1HSD17B10HSD11B1CES2CES1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018141771-A1 | METHOD FOR PRODUCING CYCLODODECANONE | EVONIK DEGUSSA GMBH (DE) | 2018-08-09 | — | — | WO | claimed |
| WO-2018141771-A1 | METHOD FOR PRODUCING CYCLODODECANONE | EVONIK DEGUSSA GMBH (DE) | 2018-08-09 | — | — | WO | disclosed |
| US-5318989-A | Antitumor and -carcinogenic agents; antibiotics; aglycones of esperamycins and calichemicins and having the same mechanism of bioactivity | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-06-07 | — | — | US | disclosed |
| EP-0538898-A2 | Cytotoxic bicyclo (7.3.1)-tridec-4-ene-2,6-diyne compounds and process for the preparation thereof | Bristol-Myers Squibb Company (US) | 1993-04-28 | — | — | EP | disclosed |
| US-5198560-A | Antitumor agents based on esperamicin antibiotics | BRISTOL-MYERS SQUIBB COMPANY (US) | 1993-03-30 | — | — | US | disclosed |
| EP-0454146-A1 | Cytotoxic bicyclo[7.3.1] tridec-4-ene-2,6-diyne compounds and process for the preparation thereof | Bristol-Myers Squibb Company (US) | 1991-10-30 | — | — | EP | disclosed |