Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6535010 | 0.98 | KDM4E (0.39) | KDM4ECYP2D6DGAT1HDAC3HDAC1 | |
| SCHEMBL29550018 | 0.83 | KDM4E (0.35) | KDM4ECYP2D6DGAT1HDAC3HDAC1 | |
| SCHEMBL1951896 | 0.80 | KDM4E (0.52) | KDM4ECYP2D6DGAT1HDAC3HDAC1 | |
| SCHEMBL7826803 | 0.79 | DGAT1 (0.34) | KDM4ECYP2D6DGAT1HDAC3HDAC1 | |
| SCHEMBL31238586 | 0.79 | HDAC3 (0.37) | CYP2D6DGAT1HDAC3HDAC1HDAC2 | |
| SCHEMBL12348352 | 0.79 | STING1 (0.34) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL28832570 | 0.77 | DGAT1 (0.33) | CYP2D6DGAT1HDAC3HDAC1HDAC2 | |
| SCHEMBL27443265 | 0.76 | CYP2D6 (0.33) | CYP2D6DGAT1HDAC3HDAC1HDAC2 | |
| SCHEMBL1952236 | 0.75 | KDM4E (0.33) | KDM4ECYP2D6DGAT1CA12CA2 | |
| SCHEMBL189917 | 0.74 | GGT1 (0.41) | KDM4ECYP2D6DGAT1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0941120-A4 | BRANCHED PEPTIDE LINKERS | BRISTOL MYERS SQUIBB CO (US) | 2004-08-18 | — | — | EP | disclosed |
| EP-0941120-A1 | BRANCHED PEPTIDE LINKERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-09-15 | — | — | EP | disclosed |
| WO-1998019705-A1 | BRANCHED PEPTIDE LINKERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-05-14 | — | — | WO | disclosed |