Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SKP2 | Q13309 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5317408 | 0.93 | ESR1 (0.47) | ALDH1A1HSD17B10ESR1ADRA2AADORA3 | |
| SCHEMBL14666137 | 0.93 | ESR1 (0.47) | ALDH1A1HSD17B10ESR1ADRA2AADORA3 | |
| SCHEMBL6013606 | 0.93 | ESR1 (0.47) | ALDH1A1HSD17B10ESR1ADRA2AADORA3 | |
| SCHEMBL5322955 | 0.88 | CNR1 (0.48) | CA2SIGMAR1BDKRB2CNR1CNR2 | |
| SCHEMBL1537772 | 0.83 | SKP2 (0.55) | SKP2HPGDNPC1MAPK1HTT | |
| SCHEMBL31593167 | 0.83 | SKP2 (0.55) | SKP2HPGDNPC1MAPK1HTT | |
| SCHEMBL5320778 | 0.79 | CYP2A6 (0.56) | HPGDNPC1MAPK1RAB9ABDKRB2 | |
| SCHEMBL9705214 | 0.79 | SKP2 (0.52) | SKP2HPGDNPC1MAPK1HTT | |
| SCHEMBL23635457 | 0.78 | ESR1 (0.55) | BDKRB2ALDH1A1HSD17B10ESR1ADRA2A | |
| SCHEMBL10822160 | 0.78 | ESR1 (0.55) | BDKRB2ALDH1A1HSD17B10ESR1ADRA2A |
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-1828171-A2 | HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006061638-A2 | HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) | 2006-06-15 | — | — | WO | disclosed |