Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 4/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.45 |
| ▸ | KLK7 | P49862 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | F13A1 | P00488 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4349030 | 0.85 | RAB9A (0.49) | HDAC2HDAC8HDAC6HDAC3HDAC1 | |
| SCHEMBL4346980 | 0.84 | CA2 (0.48) | TRPV1NPC1RAB9ACA12CA2 | |
| SCHEMBL3300429 | 0.78 | TACR1 (0.52) | NPC1RAB9ACA12CA2CA9 | |
| SCHEMBL4350095 | 0.78 | MAPT (0.46) | HDAC2HDAC8HDAC6HDAC3HDAC1 | |
| SCHEMBL4347111 | 0.77 | CA2 (0.58) | TRPV1NPC1RAB9ACA12CA2 | |
| SCHEMBL4341744 | 0.77 | TRPV1 (0.46) | TRPV1NPC1RAB9ACA12CA2 | |
| SCHEMBL4355356 | 0.76 | HSPD1 (0.49) | NPC1RAB9AALDH1A1EPHX1 | |
| SCHEMBL4350109 | 0.76 | CA1 (0.41) | NPC1RAB9ACA2ALDH1A1HPGD | |
| SCHEMBL6815624 | 0.75 | OPRM1 (0.51) | HDAC2HDAC8HDAC6HDAC1NPC1 | |
| SCHEMBL4358361 | 0.74 | HPGD (0.45) | NPC1RAB9ACA2ALDH1A1HPGD |
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-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |