Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24456073 | 1.00 | ALDH1A1 (0.42) | ALDH1A1CYP3A4HPGDFFAR4CYP1A1 | |
| SCHEMBL3182302 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP1A1CYP1B1 | |
| SCHEMBL701066 | 0.84 | ALDH1A1 (0.53) | ALDH1A1CYP3A4HPGDFFAR4CYP1A1 | |
| SCHEMBL9847949 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP3A4HPGDFFAR4CYP1A1 | |
| SCHEMBL16958899 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP3A4HPGDFFAR4CYP1A1 | |
| SCHEMBL31139624 | 0.77 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP1A1CYP1B1MAPT | |
| SCHEMBL19709408 | 0.76 | ALDH1A1 (0.43) | ALDH1A1CYP3A4HPGDCYP1A1CYP1B1 | |
| SCHEMBL3146133 | 0.76 | NQO2 (0.44) | ALDH1A1CYP3A4HPGDCYP1A1CYP1B1 | |
| SCHEMBL18523730 | 0.76 | ALDH1A1 (0.43) | ALDH1A1CYP3A4HPGDFFAR4CYP1A1 | |
| SCHEMBL11142490 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CYP3A4HPGDCYP1A1CYP1B1 |
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-2022109492-A1 | PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS | GOSSAMER BIOSERVICES, INC. (US) | 2022-05-27 | — | — | WO | disclosed |