Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 4/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | AKT2 | P31751 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 2/20 | 0.32 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4940329 | 0.77 | NTRK1 (0.42) | HTR6TGFBR1PARP1PTGS2NOS1 | |
| SCHEMBL4312241 | 0.74 | IRAK4 (0.45) | PARP1 | |
| SCHEMBL15308500 | 0.74 | ALDH1A1 (0.45) | HTR6ADORA2AADORA1KDM4EADORA3 | |
| SCHEMBL23047161 | 0.73 | PDE10A (0.44) | HTR6KDM4EPTGS2 | |
| SCHEMBL21033308 | 0.73 | HTR6 (0.41) | HTR6LMNAKDM4EPKMPTGS2 | |
| SCHEMBL13355648 | 0.71 | TGFBR1 (0.57) | TGFBR1PARP1TYK2 | |
| SCHEMBL15307034 | 0.70 | HTR6 (0.40) | HTR6LMNAADORA2AADORA1KDM4E | |
| SCHEMBL21033150 | 0.70 | HTR6 (0.39) | HTR6LMNAKDM4EPKMPTGS2 | |
| SCHEMBL21001663 | 0.70 | KDM4E (0.45) | HTR6ADORA2AKDM4EADORA2BPTGS2 | |
| SCHEMBL18208948 | 0.69 | POLB (0.42) | HTR6LMNAKDM4EPKMPTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9382197-B2 | Substituted hydroxamic acids and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2016-07-05 | — | — | US | claimed |
| CN-116836168-A | 7-difluoromethyl-5-arylpyrazolopyrimidine compound and preparation and application thereof | 浙江大学 | 2023-10-03 | — | — | CN | disclosed |