Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ADH1A | P07327 | 3/20 | 0.36 |
| ▸ | ADH1C | P00326 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | PHGDH | O43175 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11181288 | 0.81 | ALDH1A1 (0.42) | ALDH1A1ADH1AADH1CATMTSHR | |
| SCHEMBL9097148 | 0.79 | ADH1A (0.41) | ALDH1A1ADH1AADH1CMEN1KMT2A | |
| SCHEMBL6914582 | 0.78 | ADH1A (0.40) | ALDH1A1ADH1AADH1CMEN1KMT2A | |
| SCHEMBL5143783 | 0.69 | ALDH1A1 (0.58) | ALDH1A1ADH1AADH1CMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL15068442 | 0.68 | ADH1C (0.31) | ADH1AADH1C | |
| SCHEMBL736574 | 0.68 | — | — | |
| SCHEMBL9081393 | 0.67 | TSHR (0.40) | ALDH1A1ADH1AADH1CATMCTSK | |
| SCHEMBL6628285 | 0.67 | L3MBTL1 (0.46) | ALDH1A1MEN1KMT2ANPSR1ATM | |
| SCHEMBL27458892 | 0.67 | — | — | |
| SCHEMBL28490982 | 0.65 | LMNA (0.40) | ALDH1A1ADH1AADH1CMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4334073-A | BASIC CATALYSTS, DEACETYLATION, ESTERIFICATION | BAYER AKTIENGESELLSCHAFT (DE) | 1982-06-08 | — | — | US | claimed |