Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL4270776 | 0.91 | HCAR2 (0.44) | HDAC3TNKSHDAC4HDAC1HCAR2 | |
| SCHEMBL4264349 | 0.91 | HCAR2 (0.44) | HDAC3TNKSHDAC4HDAC1HCAR2 | |
| SCHEMBL4264341 | 0.78 | MEN1 (0.47) | MEN1KMT2ARAB9AKDM4EALDH1A1 | |
| Pyrrole SCHEMBL4270409 | 0.77 | ALDH1A1 (0.40) | MEN1LMNAKMT2AKDM4EALDH1A1 | |
| SCHEMBL4276499 | 0.74 | NPC1 (0.52) | RAB9AALDH1A1PTGS1PTGS2MAOA | |
| SCHEMBL4276500 | 0.74 | NPC1 (0.52) | RAB9AALDH1A1PTGS1PTGS2MAOA | |
| SCHEMBL4266849 | 0.74 | TRPM8 (0.36) | MEN1LMNACYP3A4RECQLPMP22 | |
| SCHEMBL4266852 | 0.74 | TRPM8 (0.36) | MEN1LMNACYP3A4RECQLPMP22 | |
| SCHEMBL4268501 | 0.72 | GPR183 (0.49) | MEN1LMNAKMT2ARAB9AKDM4E | |
| SCHEMBL2531349 | 0.72 | GPR84 (0.41) | PTGS2MAOAMAOBGPR183 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009110002-A1 | NOVEL EFFLUX PUMP INHIBITORS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-09-11 | — | — | WO | claimed |
| WO-2009110002-A1 | NOVEL EFFLUX PUMP INHIBITORS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-09-11 | — | — | WO | disclosed |