Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | ADH1B | P00325 | 3/20 | 0.34 |
| ▸ | ADH1C | P00326 | 3/20 | 0.34 |
| ▸ | ADH1A | P07327 | 3/20 | 0.34 |
| ▸ | ADH7 | P40394 | 3/20 | 0.34 |
| ▸ | ADH4 | P08319 | 2/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10376820 | 0.78 | ADH1C (0.35) | ADH1BADH1CADH1AADH7ADH4 | |
| SCHEMBL28295709 | 0.73 | CA1 (0.35) | CA1CA12CA9MMP1MMP2 | |
| SCHEMBL27392511 | 0.72 | ADH1A (0.44) | CA1CA12CA9ADH1BADH1C | |
| SCHEMBL1838870 | 0.71 | KDM5A (0.34) | CA1CA12CA9EPHX1FAAH | |
| SCHEMBL7879076 | 0.69 | CA1 (0.39) | CA1CA12CA9ADH1CADH1A | |
| SCHEMBL695561 | 0.69 | FAAH (0.45) | FAAHMEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL24383810 | 0.68 | ALDH1A1 (0.41) | TP53KDM5AKDM4C | |
| SCHEMBL20285412 | 0.68 | CA1 (0.44) | CA1CA12CA9EPHX1MMP1 | |
| SCHEMBL55496 | 0.68 | CA1 (0.56) | CA1CA12CA9MMP1MMP2 | |
| SCHEMBL42636 | 0.68 | CA1 (0.56) | CA1CA12CA9MMP1MMP2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1152316-A | Oxidation of steroids having allylic groups | MERCK & CO INC (US) | 1997-06-18 | — | — | CN | claimed |