Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24618502 | 1.00 | HSD17B10 (0.53) | HSD17B10PKMPDE10AALDH1A1POLB | |
| SCHEMBL17391050 | 0.85 | HSD17B10 (0.56) | HSD17B10PKMPDE10AALDH1A1POLB | |
| SCHEMBL30320202 | 0.85 | HSD17B10 (0.56) | HSD17B10PKMPDE10AALDH1A1POLB | |
| SCHEMBL9447444 | 0.76 | PKM (0.61) | HSD17B10PKMPDE10AALDH1A1POLB | |
| SCHEMBL30320196 | 0.74 | HRH1 (0.41) | TSHRCYP2C9CYP2C19 | |
| SCHEMBL24618504 | 0.74 | HRH1 (0.41) | TSHRCYP2C9CYP2C19 | |
| SCHEMBL3642366 | 0.73 | RAB9A (0.65) | ALDH1A1RAB9AMAPTKMT2ASMN1; SMN2 | |
| SCHEMBL29530672 | 0.73 | RAB9A (0.65) | ALDH1A1RAB9AMAPTKMT2ASMN1; SMN2 | |
| SCHEMBL5348595 | 0.73 | HSD17B10 (0.60) | HSD17B10PKMPDE10AALDH1A1POLB | |
| SCHEMBL2210883 | 0.72 | RAB9A (0.72) | HSD17B10ALDH1A1POLBRAB9AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-115867553-A | Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists | 巴格沃克斯研究有限公司 | 2023-03-28 | — | — | CN | disclosed |