Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2528012 | 0.78 | HDAC6 (0.61) | HDAC6HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL12283967 | 0.73 | CYP2C9 (0.45) | HDAC6RAB9AALDH1A1HPGDCYP1A2 | |
| SCHEMBL25318763 | 0.72 | RAB9A (0.45) | RAB9AALDH1A1HPGDNPC1L3MBTL1 | |
| SCHEMBL16100076 | 0.70 | TACR1 (0.43) | RAB9AALDH1A1HPGDNPC1SMN1; SMN2 | |
| SCHEMBL2524846 | 0.69 | KCNH2 (0.40) | SMN1; SMN2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL27140139 | 0.69 | COMT (0.38) | ALDH1A1CYP1A2CYP3A4HSD17B10KDM4E | |
| SCHEMBL12211189 | 0.68 | RAB9A (0.40) | RAB9AALDH1A1HPGDNPC1L3MBTL1 | |
| SCHEMBL12271733 | 0.68 | ALOX5 (0.43) | RAB9AALDH1A1HPGDNPC1L3MBTL1 | |
| SCHEMBL12211173 | 0.68 | CA12 (0.39) | HDAC6RAB9AALDH1A1HPGDNPC1 | |
| SCHEMBL16099740 | 0.67 | ENPP2 (0.43) | ALDH1A1SMN1; SMN2KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011130163-A1 | SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-10-20 | — | — | WO | disclosed |