Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | TRPM5 | Q9NZQ8 | 1/20 | 0.32 |
| ▸ | HPGDS | O60760 | 1/20 | 0.32 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27490996 | 0.82 | HDAC3 (0.46) | PDGFRBPDGFRAHDAC3HDAC4HDAC1 | |
| SCHEMBL28042302 | 0.79 | ESR2 (0.44) | PDGFRBPDGFRAHDAC3HDAC4HDAC1 | |
| SCHEMBL28234144 | 0.75 | PDGFRB (0.36) | PDGFRBPDGFRA | |
| SCHEMBL24447290 | 0.75 | KDM4C (0.41) | PDGFRBPDGFRAHPGDSKDM4C | |
| SCHEMBL28382640 | 0.75 | PIN1 (0.32) | — | |
| SCHEMBL272740 | 0.74 | HDAC3 (0.44) | PDGFRBPDGFRAHDAC3HDAC4HDAC1 | |
| SCHEMBL28295601 | 0.74 | ACP1 (0.37) | CYP2A6 | |
| SCHEMBL27653691 | 0.73 | HDAC3 (0.43) | PDGFRBPDGFRAHDAC3HDAC4HDAC1 | |
| SCHEMBL28058329 | 0.73 | — | — | |
| SCHEMBL27798384 | 0.72 | DAO (0.50) | HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105473568-A | 1, 7-naphthyridine derivatives | HOFFMANN LA ROCHE | 2016-04-06 | — | — | CN | disclosed |
| CN-101426373-A | Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues | NEUROGEN CORP (US) | 2009-05-06 | — | — | CN | disclosed |