Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 11/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 13/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 12/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11301806 | 1.00 | ALDH1A1 (0.41) | ALDH1A1POLBTDP1HDAC8HDAC1 | |
| SCHEMBL11298688 | 0.79 | HDAC8 (0.42) | ALDH1A1POLBTDP1HDAC8HDAC1 | |
| SCHEMBL11303497 | 0.76 | HDAC8 (0.46) | ALDH1A1POLBTDP1HDAC8HDAC1 | |
| SCHEMBL11301754 | 0.71 | PSEN1 (0.42) | ALDH1A1POLBTDP1HDAC8HDAC1 | |
| SCHEMBL11300763 | 0.69 | HDAC8 (0.42) | HDAC8KMT2A | |
| SCHEMBL202512 | 0.69 | HDAC1 (0.65) | ALDH1A1HDAC8HDAC1HDAC6FLT1 | |
| SCHEMBL11303321 | 0.66 | HDAC8 (0.44) | HDAC8HDAC1HDAC6HDAC2 | |
| SCHEMBL11299454 | 0.65 | HDAC1 (0.44) | ALDH1A1POLBTDP1HDAC8HDAC1 | |
| SCHEMBL11297461 | 0.64 | HDAC8 (0.37) | HDAC8HDAC1HDAC6HDAC2KMT2A | |
| SCHEMBL11297190 | 0.64 | HDAC6 (0.44) | HDAC8HDAC1HDAC6HDAC2KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2665706-A1 | NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER | F.HOFFMANN-LA ROCHE AG (CH) | 2013-11-27 | — | — | EP | claimed |
| WO-2012098132-A1 | NOVEL 4-AMINO-N-HYDROXY-BENZAMIDES AS HDAC INHIBITORS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2012-07-26 | — | — | WO | claimed |