Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 2/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18528460 | 0.84 | PTGS2 (0.47) | ALDH1A1KDM4ESCN5ASCN2ANPC1 | |
| SCHEMBL12677580 | 0.81 | TUBB4A (0.52) | SMPD1HDAC1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL13940867 | 0.81 | TUBB1 (0.57) | HDAC1HDAC8HDAC6ABCB1 | |
| SCHEMBL22905946 | 0.78 | CA12 (0.58) | SMPD1HDAC1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL1634975 | 0.77 | TTR (0.51) | SMPD1HDAC1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL1635884 | 0.77 | SMPD1 (0.47) | SMPD1HDAC1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL1636723 | 0.77 | SMPD1 (0.47) | SMPD1HDAC1HDAC8HDAC6KDM4E | |
| SCHEMBL18552451 | 0.76 | ABCB1 (0.37) | ALDH1A1KDM4EABCB1SCN5ASCN2A | |
| SCHEMBL17224275 | 0.76 | PTGS2 (0.48) | ALDH1A1KDM4ESCN5ASCN2ANPC1 | |
| SCHEMBL17224375 | 0.76 | PTGS1 (0.44) | SCN5ASCN2ANPC1RAB9A |
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-20170051149-A1 | AZOARYLS AS REVERSIBLY MODULATABLE TUBULIN INHIBITORS | ECOLE NORMALE SUPERIEURE DE LYON (FR) | 2017-02-23 | — | — | US | disclosed |