Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1840761 | 1.00 | EPHX1 (0.48) | EPHX1GAACA12CA14ALDH1A1 | |
| SCHEMBL1840760 | 1.00 | EPHX1 (0.48) | EPHX1GAACA12CA14ALDH1A1 | |
| SCHEMBL6595324 | 0.91 | CA12 (0.40) | EPHX1GAACA12CA14ALDH1A1 | |
| SCHEMBL6595320 | 0.91 | CA12 (0.40) | EPHX1GAACA12CA14ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5765157 | 0.89 | CA12 (0.39) | EPHX1GAACA12CA14ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5765152 | 0.89 | CA12 (0.39) | EPHX1GAACA12CA14ALDH1A1 | |
| SCHEMBL15000754 | 0.83 | EPHX1 (0.39) | EPHX1CA12CA14ALDH1A1MEN1 | |
| SCHEMBL27498682 | 0.83 | EPHX1 (0.39) | EPHX1CA12CA14ALDH1A1MEN1 | |
| SCHEMBL14941611 | 0.82 | CA14 (0.45) | EPHX1CA12CA14ALDH1A1MEN1 | |
| SCHEMBL628961 | 0.82 | CA14 (0.45) | EPHX1CA12CA14ALDH1A1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1073449-A4 | AMINO ACID AMIDINOHYDRAZONES, ALKOXYGUANIDINES AND AMINOGUANIDINES AS PROTEASE INHIBITORS | DIMENSIONAL PHARM INC (US) | 2003-01-02 | — | — | EP | disclosed |
| US-6417161-B1 | KETONE AMINO DERIVATIVES | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-07-09 | — | — | US | disclosed |
| EP-1073449-A1 | AMINO ACID AMIDINOHYDRAZONES, ALKOXYGUANIDINES AND AMINOGUANIDINES AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999055355-A1 | AMINO ACID AMIDINOHYDRAZONES, ALKOXYGUANIDINES AND AMINOGUANIDINES AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-11-04 | — | — | WO | disclosed |