Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 3/20 | 0.36 |
| ▸ | CDK8 | P49336 | 3/20 | 0.36 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL18084017 | 0.84 | CA12 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6182379 | 0.81 | CA12 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6376840 | 0.81 | CA12 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18250749 | 0.81 | JUN (0.35) | NPC1RAB9AMAPTFPR2CYP3A4 | |
| SCHEMBL15765005 | 0.80 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28874206 | 0.79 | MAPK1 (0.38) | LMNAFPR2CYP3A4HCAR2KDM4E | |
| SCHEMBL23706344 | 0.79 | MAPK1 (0.38) | LMNAFPR2CYP3A4HCAR2KDM4E | |
| SCHEMBL19937739 | 0.78 | OPRD1 (0.31) | FPR2OPRD1 | |
| SCHEMBL18106169 | 0.75 | FDPS (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15765070 | 0.75 | RAB9A (0.53) | CA12CA1CA2CA7CA9 |
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-2021153744-A1 | CRYSTALS OF CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | 東レ株式会社 | 2021-08-05 | — | — | WO | disclosed |