Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CCR1 | P32246 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | CCR8 | P51685 | 1/20 | 0.30 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL21477622 | 0.74 | GRM5 (0.30) | — | |
| SCHEMBL19154012 | 0.70 | — | — | |
| SCHEMBL7512293 | 0.67 | CYP1A2 (0.59) | CYP1A2CCR1RAB9ACCR5KDM4E | |
| SCHEMBL14643801 | 0.67 | CCR1 (0.42) | CYP1A2CCR1RAB9ACCR5KDM4E | |
| SCHEMBL8312831 | 0.67 | DYRK1A (0.46) | CYP1A2CCR1RAB9ACCR5KDM4E | |
| SCHEMBL2616766 | 0.65 | CYP2A6 (0.44) | CYP1A2CCR1RAB9ACCR5KDM4E | |
| SCHEMBL7916567 | 0.65 | CYP1A2 (0.48) | CYP1A2RAB9AKDM4ELMNAPOLB | |
| SCHEMBL16338973 | 0.64 | CYP1A2 (0.39) | CYP1A2CCR1RAB9ACCR5KDM4E | |
| SCHEMBL23638490 | 0.63 | TRPM5 (0.38) | RAB9AKDM4ELMNAALDH1A1 | |
| SCHEMBL1165531 | 0.63 | CYP1A2 (0.41) | CYP1A2RAB9AKDM4ELMNAPOLB |
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-2004031145-A2 | LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-04-15 | — | — | WO | disclosed |