Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.64 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.48 |
| ▸ | WDR5 | P61964 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL30275345 | 1.00 | HSD17B10 (0.64) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 | |
| SCHEMBL15326126 | 0.93 | CYP19A1 (0.54) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 | |
| SCHEMBL8906711 | 0.93 | CYP19A1 (0.54) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 | |
| SCHEMBL11681167 | 0.93 | CYP19A1 (0.54) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 | |
| SCHEMBL2566825 | 0.93 | CYP19A1 (0.54) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 | |
| SCHEMBL16744514 | 0.93 | CYP19A1 (0.54) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 | |
| SCHEMBL28001318 | 0.88 | ALDH1A1 (0.61) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 | |
| SCHEMBL29932515 | 0.88 | HSD17B10 (0.56) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 | |
| SCHEMBL29932511 | 0.87 | HSD17B10 (0.54) | HSD17B10CYP3A4TDP1TAAR1ALDH1A1 | |
| SCHEMBL2451378 | 0.87 | RAB9A (0.52) | ALDH1A1WDR5MAPTRAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104341311-B | Diamine compound and its preparation method and application | 中山大学 | 2016-12-28 | — | — | CN | disclosed |
| CN-104341311-A | Novel diamine compound, and preparation method and application thereof | UNIV SUN YAT SEN | 2015-02-11 | — | — | CN | disclosed |