Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4959475 | 0.86 | ALDH1A1 (0.59) | ALDH1A1HPGDHSD17B10MAPK1ALOX15 | |
| SCHEMBL3095423 | 0.82 | MMP2 (0.52) | ALDH1A1HDAC1HDAC3HDAC2HSD17B10 | |
| SCHEMBL5516360 | 0.82 | ALDH1A1 (0.52) | ALDH1A1HPGDHDAC1HDAC3HDAC2 | |
| SCHEMBL29904721 | 0.82 | ALDH1A1 (0.61) | ALDH1A1HPGDHDAC1HDAC3HDAC2 | |
| SCHEMBL463597 | 0.82 | ALDH1A1 (0.61) | ALDH1A1HPGDHDAC1HDAC3HDAC2 | |
| SCHEMBL7014176 | 0.81 | KMT2A (0.49) | ALDH1A1HPGDHDAC1HDAC3HDAC2 | |
| SCHEMBL5285258 | 0.81 | ALDH1A1 (0.55) | ALDH1A1HPGDHDAC1HDAC3HDAC2 | |
| Hydrochloric Acid SCHEMBL11503558 | 0.80 | HDAC1 (0.59) | ALDH1A1HPGDHDAC1HDAC3HDAC2 | |
| SCHEMBL19004112 | 0.80 | ALDH1A1 (0.53) | ALDH1A1HPGDHDAC1HSD17B10MAPK1 | |
| SCHEMBL19448679 | 0.79 | ALDH1A1 (0.54) | ALDH1A1HPGDHDAC1HDAC3HDAC2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103951615-B | Alkylamine derivative | EA制药株式会社 | 2017-04-12 | — | — | CN | disclosed |
| WO-1999026920-A1 | SUBSTITUTED 3-AMINO-2-HYDROXYPHENYLACETAMIDE DERIVATIVES AS ENZYME INHIBITORS (II) | CORVAS INTERNATIONAL, INC. (US) | 1999-06-03 | — | — | WO | disclosed |
| EP-0315046-A2 | Copper-formazane reactive dyes | BASF Aktiengesellschaft (DE) | 1989-05-10 | — | — | EP | disclosed |