Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 0.39 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.32 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL18704621 | 0.84 | CA12 (0.45) | ALDH1A1HPGDTSHRMAPK1CA12 | |
| SCHEMBL498627 | 0.81 | CA12 (0.54) | ALDH1A1HPGDTSHRMAPK1CA12 | |
| SCHEMBL483128 | 0.80 | CA12 (0.55) | ALDH1A1HPGDTSHRMAPK1CA12 | |
| SCHEMBL11506431 | 0.79 | CA12 (0.46) | ALDH1A1HPGDTSHRMAPK1CA12 | |
| SCHEMBL13055369 | 0.78 | CA12 (0.52) | ALDH1A1HPGDTSHRMAPK1CA12 | |
| SCHEMBL13055370 | 0.78 | CA12 (0.52) | ALDH1A1HPGDTSHRMAPK1CA12 | |
| Hydrochloric Acid SCHEMBL3020939 | 0.78 | CA12 (0.52) | ALDH1A1HPGDTSHRMAPK1CA12 | |
| SCHEMBL13055372 | 0.78 | CA12 (0.52) | ALDH1A1HPGDTSHRMAPK1CA12 | |
| SCHEMBL16564665 | 0.77 | CA12 (0.48) | ALDH1A1TSHRMAPK1CA12CA9 | |
| SCHEMBL5087415 | 0.77 | CA12 (0.48) | ALDH1A1TSHRMAPK1CA12CA9 |
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-2020142764-A1 | HTRA INHIBITORS AND CAGA INHIBITORS AND USE THEREOF | Psomagen Inc. (US) | 2020-07-09 | — | — | WO | disclosed |