Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28106147 | 0.87 | PSEN1 (0.47) | AMY1AALDH1A1PSEN1PSEN2APH1B | |
| SCHEMBL28075584 | 0.85 | KDM4E (0.48) | AMY1AALDH1A1KDM4EHSD17B10NR1H2 | |
| SCHEMBL28833481 | 0.85 | AMY1A (0.46) | AMY1AMEN1ALDH1A1KMT2ANPC1 | |
| SCHEMBL28095606 | 0.85 | KDM4E (0.55) | MEN1ALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL28106610 | 0.85 | NR1H2 (0.50) | AMY1ANPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28106612 | 0.83 | AMY1A (0.46) | AMY1AMEN1KMT2ASMN1; SMN2KDM4E | |
| SCHEMBL28106125 | 0.82 | NR1H2 (0.50) | AMY1AMEN1KMT2ANPC1RAB9A | |
| SCHEMBL28106128 | 0.82 | NPC1 (0.50) | AMY1AALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28835288 | 0.81 | ADORA2A (0.47) | AMY1AMEN1KMT2ANPC1RAB9A | |
| SCHEMBL28106139 | 0.81 | NPC1 (0.56) | AMY1AMEN1ALDH1A1KMT2ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106243130-A | 3,6 diaryl [1,2,4] triazole also [3,4 b] [1,3,4] diazthines compound and application thereof | 沈阳药科大学 | 2016-12-21 | — | — | CN | claimed |
| CN-106188068-A | 3,6 diaryl [1,2,4] triazole also [4,3 b] pyridazine compound and purposes | 沈阳药科大学 | 2016-12-07 | — | — | CN | claimed |
| CN-106243130-A | 3,6 diaryl [1,2,4] triazole also [3,4 b] [1,3,4] diazthines compound and application thereof | 沈阳药科大学 | 2016-12-21 | — | — | CN | disclosed |
| CN-106188068-A | 3,6 diaryl [1,2,4] triazole also [4,3 b] pyridazine compound and purposes | 沈阳药科大学 | 2016-12-07 | — | — | CN | disclosed |