Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL599845 | 0.79 | TYMP (0.45) | CES1P2RX4 | |
| SCHEMBL29416568 | 0.77 | ALDH1A1 (0.42) | TDP1ALDH1A1ATM | |
| SCHEMBL11634092 | 0.77 | CES1 (0.42) | CES1CA1CA2TDP1PKM | |
| SCHEMBL28676104 | 0.72 | P2RX4 (0.50) | ALDH1A1L3MBTL1ATMP2RX4 | |
| SCHEMBL5408701 | 0.70 | CES1 (0.47) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL9152022 | 0.65 | CA12 (0.77) | CES1CA1CA2PKMHSD11B1 | |
| SCHEMBL8421386 | 0.65 | CES1 (0.53) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL6325746 | 0.64 | CES1 (0.57) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL3330023 | 0.64 | CES1 (0.68) | CES1CA1CA2TDP1TSHR | |
| SCHEMBL10723714 | 0.63 | SRD5A2 (0.83) | CES1CA1CA2TDP1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4088646-A | ANTITUMOR AND ANTICARCINOGENIC AGENTS | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) | 1978-05-09 | — | — | US | disclosed |