Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | KDM5C | P41229 | 1/20 | 0.48 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.48 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.48 |
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | NCOR1 | O75376 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL4411983 | 0.84 | KDM4E (0.59) | KDM4EKDM5CPHF8KDM2ACTSD | |
| SCHEMBL1542706 | 0.83 | — | — | |
| Carbamic Acid SCHEMBL30312208 | 0.81 | KDM4E (0.56) | KDM4EKDM5CPHF8KDM2ACTSD | |
| Trifluoroacetic Acid SCHEMBL8201988 | 0.77 | LMNA (0.48) | CYP1A2CYP2D6HDAC6ALDH1A1HRH4 | |
| Trifluoroacetic Acid SCHEMBL28211650 | 0.76 | MMP2 (0.38) | L3MBTL1CYP3A4CYP2D6CYP2C19HDAC6 | |
| Trifluoroacetic Acid SCHEMBL28278524 | 0.76 | CTSD (0.52) | CTSDCYP1A2CYP3A4CYP2C19KMT2A | |
| Trifluoroacetic Acid SCHEMBL7105511 | 0.76 | CTSD (0.44) | KDM4EKDM5CPHF8KDM2ACTSD | |
| Trifluoroacetic Acid SCHEMBL5580143 | 0.76 | KDM4E (0.39) | KDM4EKDM5CPHF8KDM2ACTSD | |
| Trifluoroacetic Acid SCHEMBL10619788 | 0.75 | HRH4 (0.41) | KDM4EL3MBTL1CYP1A2CYP2D6HDAC6 | |
| Trifluoroacetic Acid SCHEMBL3149138 | 0.75 | HRH4 (0.41) | KDM4EL3MBTL1CYP1A2CYP2D6HDAC6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0871490-A1 | BRANCHED HYDRAZONE LINKERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-10-21 | — | — | EP | disclosed |
| WO-1997023243-A1 | BRANCHED HYDRAZONE LINKERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-07-03 | — | — | WO | disclosed |