Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.49 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.49 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.49 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6232914 | 0.92 | CYP1A2 (0.65) | CYP1A2PTGS2ALDH1A1RAB9APOLB | |
| SCHEMBL6232251 | 0.92 | CYP1A2 (0.65) | CYP1A2PTGS2ALDH1A1RAB9APOLB | |
| SCHEMBL6234990 | 0.92 | CYP1A2 (0.65) | CYP1A2PTGS2ALDH1A1RAB9APOLB | |
| SCHEMBL6234337 | 0.92 | CYP1A2 (0.65) | CYP1A2PTGS2ALDH1A1RAB9APOLB | |
| SCHEMBL6232508 | 0.90 | CYP1A2 (0.67) | CYP1A2ALDH1A1RAB9APOLBLPAR2 | |
| SCHEMBL8155917 | 0.88 | PTGS2 (0.68) | PTGS2ALDH1A1CYSLTR2CYSLTR1HDAC3 | |
| SCHEMBL8158286 | 0.88 | PTGS2 (0.68) | PTGS2ALDH1A1CYSLTR2CYSLTR1HDAC3 | |
| SCHEMBL8155943 | 0.86 | PTGS2 (0.66) | PTGS2ALDH1A1CYSLTR2CYSLTR1HDAC3 | |
| SCHEMBL8162845 | 0.86 | PTGS2 (0.66) | PTGS2ALDH1A1CYSLTR2CYSLTR1HDAC3 | |
| SCHEMBL21189320 | 0.86 | CYP1A2 (0.68) | CYP1A2ALDH1A1RAB9APOLBLPAR2 |
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-2023069994-A1 | IMMUNOMODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-04-27 | — | — | WO | disclosed |