Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 18/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 18/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 18/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 18/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 18/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 18/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4082710 | 0.86 | ALDH1A1 (0.52) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL14878330 | 0.81 | KMT2A (0.44) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL511425 | 0.78 | NR4A1 (0.54) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL158254 | 0.78 | PSEN1 (0.42) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL29637044 | 0.78 | NR4A1 (0.54) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL14321124 | 0.77 | ALOX5AP (0.36) | — | |
| SCHEMBL6124230 | 0.76 | ALDH1A1 (0.41) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL155501 | 0.75 | AR (0.43) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL8091360 | 0.75 | PSEN1 (0.40) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL8062086 | 0.74 | MEN1 (0.43) | PSEN1PSEN2APH1BNCSTNAPH1A |
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-2018075842-A1 | CONDENSED BENZODIAZEPINE DERIVATIVES AND CONJUGATES MADE THEREFROM | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-04-26 | — | — | WO | disclosed |