Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | UBE2M | P61081 | 1/20 | 0.37 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | F11 | P03951 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11301136 | 0.79 | ROCK2 (0.42) | MAPTALDH1A1SMN1; SMN2HSP90AA1HTT | |
| SCHEMBL11295039 | 0.72 | PSEN1 (0.40) | SMN1; SMN2KMT2ATSHR | |
| SCHEMBL11299441 | 0.71 | MAPK14 (0.37) | MAPTMEN1KMT2AOPRD1TSHR | |
| SCHEMBL11296532 | 0.69 | SLC6A3 (0.40) | MAPTALDH1A1SMN1; SMN2RAB9AMEN1 | |
| SCHEMBL10822415 | 0.69 | CA1 (0.49) | MAPTSMN1; SMN2HTTCA1CA2 | |
| SCHEMBL10822413 | 0.69 | CA1 (0.49) | MAPTSMN1; SMN2HTTCA1CA2 | |
| SCHEMBL11296506 | 0.69 | ALOX15 (0.44) | ALDH1A1HTTRAB9ANPC1TSHR | |
| SCHEMBL23176754 | 0.68 | HPGD (0.52) | MAPTALDH1A1SMN1; SMN2CA1CA2 | |
| SCHEMBL11300775 | 0.68 | HDAC1 (0.50) | — | |
| SCHEMBL11301393 | 0.67 | ALOX15 (0.56) | MAPTALDH1A1SMN1; SMN2HTTRAB9A |
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 | disclosed |
| 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 | disclosed |