Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | CPB1 | P15086 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 3/20 | 0.46 |
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
| ▸ | CTSL | P07711 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18969529 | 1.00 | ALDH1A1 (0.52) | ALDH1A1GAACPB1TSHRNAAA | |
| Hydrochloric Acid SCHEMBL19816654 | 0.99 | ALDH1A1 (0.51) | ALDH1A1GAACPB1TSHRNAAA | |
| SCHEMBL5745326 | 0.90 | ALDH1A1 (0.52) | ALDH1A1GAACPB1TSHRNAAA | |
| SCHEMBL16683509 | 0.90 | ALDH1A1 (0.52) | ALDH1A1GAACPB1TSHRNAAA | |
| Hydrochloric Acid SCHEMBL6582419 | 0.89 | ALDH1A1 (0.51) | ALDH1A1GAACPB1TSHRNAAA | |
| Hydrochloric Acid SCHEMBL34467954 | 0.89 | ALDH1A1 (0.51) | ALDH1A1GAACPB1TSHRNAAA | |
| SCHEMBL7500672 | 0.88 | CPB1 (0.53) | ALDH1A1GAACPB1TSHRNAAA | |
| SCHEMBL19083298 | 0.88 | CPB1 (0.53) | ALDH1A1GAACPB1TSHRNAAA | |
| SCHEMBL12225513 | 0.88 | CPB1 (0.53) | ALDH1A1GAACPB1TSHRNAAA | |
| Hydrochloric Acid SCHEMBL31350678 | 0.87 | CPB1 (0.52) | ALDH1A1GAACPB1TSHRNAAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3885342-B1 | BICYCLIC INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS INC (US) | 2024-11-20 | — | — | EP | disclosed |
| CN-109069869-B | Bicyclic PAD4 inhibitors | 帕德罗科治疗公司 | 2022-09-13 | — | — | CN | disclosed |