Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.40 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.40 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.40 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TLR4 | O00206 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28546187 | 0.81 | ADORA3 (0.41) | MAPTDHODHIP6K1IP6K3IP6K2 | |
| SCHEMBL19533570 | 0.79 | ALPL (0.49) | ALDH1A1MAPTDHODHTACR3SMN1; SMN2 | |
| SCHEMBL15006689 | 0.77 | PIN1 (0.57) | ALDH1A1SMN1; SMN2NPC1CYP1A2RAB9A | |
| SCHEMBL1869857 | 0.75 | POLB (0.57) | ALDH1A1MAPTCYP1A2RAB9AKDM4E | |
| SCHEMBL19544670 | 0.74 | MAPT (0.66) | ALDH1A1MAPTTACR3SMN1; SMN2NPC1 | |
| SCHEMBL2888170 | 0.74 | MAPT (0.63) | ALDH1A1MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL510396 | 0.74 | ALDH1A1 (0.66) | ALDH1A1MAPTSMN1; SMN2RAB9ATLR4 | |
| SCHEMBL31238491 | 0.74 | ALDH1A1 (0.66) | ALDH1A1MAPTSMN1; SMN2RAB9ATLR4 | |
| SCHEMBL11143982 | 0.72 | PTGS2 (0.57) | IP6K1IP6K3IP6K2DRD1SMN1; SMN2 | |
| SCHEMBL28001241 | 0.71 | LTA4H (0.50) | DHODHIP6K1IP6K3IP6K2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3246317-A1 | BTK INHIBITOR | Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) | 2017-11-22 | — | — | EP | disclosed |