Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP7 | P09237 | 1/20 | 0.32 |
| ▸ | MMP12 | P39900 | 1/20 | 0.32 |
| ▸ | ECE1 | P42892 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1837188 | 0.87 | TP53 (0.38) | SHBGCA2EPHX1TP53MMP1 | |
| SCHEMBL22230537 | 0.76 | CA12 (0.32) | CA1CA2CA12CA7CA14 | |
| SCHEMBL11707543 | 0.75 | SMN1; SMN2 (0.37) | SHBGCA1EPHX1SMN1; SMN2CA12 | |
| SCHEMBL8640532 | 0.73 | SHBG (0.35) | SHBGCA1CA2EPHX1SMN1; SMN2 | |
| SCHEMBL841662 | 0.69 | SHBG (0.46) | SHBGEPHX1SMN1; SMN2TP53KDM4E | |
| SCHEMBL11831532 | 0.69 | SHBG (0.46) | SHBGEPHX1SMN1; SMN2TP53KDM4E | |
| SCHEMBL11629006 | 0.69 | SHBG (0.46) | SHBGEPHX1SMN1; SMN2TP53KDM4E | |
| SCHEMBL30142421 | 0.69 | SHBG (0.46) | SHBGEPHX1SMN1; SMN2TP53KDM4E | |
| SCHEMBL15668553 | 0.69 | CA1 (0.43) | SHBGCA1CA2EPHX1CA12 | |
| SCHEMBL20319041 | 0.69 | SHBG (0.46) | SHBGEPHX1SMN1; SMN2TP53KDM4E |
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-104781229-B | 1, 4-bis (isocyanatomethyl) cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens | 三井化学株式会社 | 2017-03-01 | — | — | CN | disclosed |