Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CASR | P41180 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL10076053 | 0.82 | CA12 (0.40) | HDAC6HDAC1HDAC2CA12CA1 | |
| SCHEMBL1742305 | 0.82 | AKT1 (0.39) | HDAC6HDAC1HDAC2L3MBTL1CASR | |
| SCHEMBL782398 | 0.82 | CA14 (0.32) | HDAC6HDAC1HDAC2CA14CASR | |
| SCHEMBL13110654 | 0.80 | CA14 (0.34) | HDAC6HDAC1HDAC2CA12CA1 | |
| SCHEMBL9893327 | 0.79 | PHF8 (0.39) | HDAC6HDAC1HDAC2CASRALDH1A1 | |
| SCHEMBL28409176 | 0.78 | CA14 (0.41) | HDAC6HDAC1HDAC2CA12CA1 | |
| SCHEMBL15143768 | 0.78 | HDAC6 (0.34) | HDAC6HDAC1HDAC2CASRCYP2D6 | |
| SCHEMBL7176207 | 0.78 | DGAT1 (0.34) | HDAC6HDAC1HDAC2CA12CA1 | |
| SCHEMBL1688812 | 0.78 | CA14 (0.38) | HDAC6HDAC1HDAC2CA12CA1 | |
| SCHEMBL782292 | 0.77 | CTSS (0.35) | ALDH1A1CTSLCTSBCTSS |
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 |