Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.61 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | CASP3 | P42574 | 1/20 | 0.55 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.55 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.54 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.54 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.54 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.54 |
| ▸ | MTOR | P42345 | 1/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL17076673 | 0.84 | POLB (0.67) | HDAC2HDAC1HDAC3NPC1RAB9A | |
| SCHEMBL31054263 | 0.83 | LSS (0.60) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL4555094 | 0.83 | PTGES (0.65) | NPC1RAB9AMEN1KMT2ANR1H4 | |
| SCHEMBL9707490 | 0.83 | TRPV1 (0.57) | TRPV1PTPN1HDAC2HDAC1NPC1 | |
| SCHEMBL10162575 | 0.81 | TRPV1 (0.71) | TRPV1PTPN1HDAC2NPC1RAB9A | |
| SCHEMBL9292687 | 0.81 | PTGES (0.56) | MEN1KMT2ANR1H4KCNK3ROCK2 | |
| SCHEMBL1315526 | 0.80 | PTPN1 (0.87) | PTPN1HDAC2HDAC1HDAC3NPC1 | |
| SCHEMBL27672991 | 0.80 | IKBKE (0.47) | HDAC2HDAC1HDAC3NPC1RAB9A | |
| SCHEMBL25924692 | 0.80 | HDAC1 (0.66) | TRPV1PTPN1HDAC2HDAC1HDAC3 | |
| SCHEMBL2642122 | 0.80 | PTPN1 (0.67) | TRPV1PTPN1HDAC2NPC1RAB9A |
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-2017131500-A1 | NOVEL COMPOUND HAVING HSP90 INHIBITORY ACTIVITY OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND MEDICAL USE THEREOF | 계명대학교 산학협력단 | 2017-08-03 | — | — | WO | disclosed |