Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GPR88 | Q9GZN0 | 3/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL4635157 | 0.85 | KMT2A (0.44) | TSHRHPGDALDH1A1PTGS2PTGS1 | |
| SCHEMBL27643864 | 0.83 | GPR88 (0.49) | TSHRHPGDALDH1A1GPR88LMNA | |
| SCHEMBL15201697 | 0.81 | KMT2A (0.53) | PTGS2PTGS1KMT2AGPR88LMNA | |
| SCHEMBL7651108 | 0.80 | KMT2A (0.52) | PTGS2PTGS1KMT2ALMNACYP2D6 | |
| SCHEMBL29291225 | 0.80 | NPC1 (0.51) | TSHRALDH1A1GPR88LMNA | |
| SCHEMBL28225645 | 0.80 | ALDH1A1 (0.47) | TSHRHPGDALDH1A1PTGS2PTGS1 | |
| SCHEMBL3804982 | 0.79 | ALDH1A1 (0.49) | TSHRALDH1A1PTGS2PTGS1KMT2A | |
| SCHEMBL13168190 | 0.75 | KMT2A (0.44) | TSHRHPGDALDH1A1PTGS2PTGS1 | |
| SCHEMBL5544986 | 0.75 | KMT2A (0.67) | TSHRHPGDALDH1A1PTGS2PTGS1 | |
| SCHEMBL183940 | 0.75 | KMT2A (0.67) | TSHRHPGDALDH1A1PTGS2PTGS1 |
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-2023226965-A1 | ROCK INHIBITORS AND USES THEREOF | DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) | 2023-11-30 | — | — | WO | disclosed |