Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 10/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.32 |
| ▸ | NCOR2 | Q9Y618 | 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 | |
|---|---|---|---|---|
| SCHEMBL9011360 | 0.98 | HDAC3 (0.37) | HDAC3HDAC1HDAC2ALOX15ALDH1A1 | |
| SCHEMBL7557328 | 0.80 | HDAC1 (0.38) | HDAC3HDAC1HDAC2ALOX15ALDH1A1 | |
| Heptane SCHEMBL10624295 | 0.79 | TSHR (0.44) | ALOX15ALDH1A1TSHRHDAC11EPHX1 | |
| SCHEMBL41078 | 0.75 | ALDH1A1 (0.40) | HDAC3HDAC1HDAC2ALDH1A1TSHR | |
| SCHEMBL11226737 | 0.74 | HDAC1 (0.41) | HDAC3HDAC1HDAC2ALDH1A1TSHR | |
| SCHEMBL28968579 | 0.74 | HDAC1 (0.41) | HDAC3HDAC1HDAC2ALDH1A1TSHR | |
| SCHEMBL28415125 | 0.74 | HDAC1 (0.41) | HDAC3HDAC1HDAC2ALDH1A1TSHR | |
| SCHEMBL28059471 | 0.74 | HDAC1 (0.41) | HDAC3HDAC1HDAC2ALDH1A1TSHR | |
| SCHEMBL11033679 | 0.74 | HDAC1 (0.41) | HDAC3HDAC1HDAC2ALDH1A1TSHR | |
| SCHEMBL6111687 | 0.74 | HDAC1 (0.41) | HDAC3HDAC1HDAC2ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5498720-A | ANTIINFLAMMATORY AGENT USING 4H-1,2,4-TRIAZOL-3-THIOL DERIVATIVES | LEE AN-RONG (TW) | 1996-03-12 | — | — | US | disclosed |