Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | CD44 | P16070 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL7126868 | 0.83 | HPGD (0.56) | PTGS2ALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL228051 | 0.81 | ALDH1A1 (0.58) | ALDH1A1HSD17B10CFTRCD44NR4A2 | |
| SCHEMBL7322497 | 0.81 | HDAC8 (0.47) | ALDH1A1SMN1; SMN2HSD17B10CD44NPC1 | |
| SCHEMBL29601872 | 0.81 | ALDH1A1 (0.58) | ALDH1A1HSD17B10CFTRCD44NR4A2 | |
| SCHEMBL635088 | 0.81 | PLK1 (0.50) | ALDH1A1SMN1; SMN2HSD17B10CD44NPC1 | |
| SCHEMBL31038153 | 0.81 | PLK1 (0.50) | ALDH1A1SMN1; SMN2HSD17B10CD44NPC1 | |
| SCHEMBL5584122 | 0.81 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2CD44NPC1RAB9A | |
| SCHEMBL3194752 | 0.81 | ALOX5 (0.49) | ALDH1A1SMN1; SMN2CYP2D6CYP2C19KDM4E | |
| SCHEMBL30001783 | 0.81 | CTSD (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9APOLB | |
| Hydrochloric Acid SCHEMBL31400038 | 0.80 | PLK1 (0.49) | ALDH1A1SMN1; SMN2HSD17B10CD44NPC1 |
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-103880761-B | The method of one pot process 4 (3H)-Quinazol derivative is eliminated by cyclization | TIANJIN UNIVERSITY (CN) | 2015-07-29 | — | — | CN | disclosed |