Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | HBB | P68871 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12414402 | 0.86 | ALDH1A1 (0.64) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL21078332 | 0.80 | ALDH1A1 (0.56) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL3332610 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TSHRCYP3A4MAPTRAB9A | |
| SCHEMBL165131 | 0.77 | ALDH1A1 (0.64) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL384906 | 0.77 | ALDH1A1 (0.64) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL27816979 | 0.74 | CARM1 (0.35) | ALDH1A1TSHRCYP3A4MAPT | |
| SCHEMBL8423246 | 0.74 | KMT2A (0.53) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL21078333 | 0.73 | ALDH1A1 (0.58) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL66152 | 0.73 | ALDH1A1 (0.58) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL25645368 | 0.73 | ALDH1A1 (0.58) | ALDH1A1TSHRCYP3A4MAPK1TDP1 |
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-2022166920-A1 | PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 杭州中美华东制药有限公司 | 2022-08-11 | — | — | WO | disclosed |