Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4442482 | 0.85 | AURKA (0.47) | PARP1ALDH1A1HSD17B10TSHRAURKA | |
| SCHEMBL36891321 | 0.73 | ALDH1A1 (0.43) | ALDH1A1ALOX15HSD17B10TSHRNR4A1 | |
| SCHEMBL286794 | 0.73 | ALDH1A1 (0.43) | ALDH1A1ALOX15HSD17B10TSHRNR4A1 | |
| SCHEMBL4202677 | 0.72 | PARP1 (0.42) | PARP1ALDH1A1ALOX15HSD17B10TSHR | |
| SCHEMBL16621278 | 0.71 | PARP1 (0.47) | PARP1 | |
| SCHEMBL5753321 | 0.70 | ALDH1A1 (0.40) | PARP1ALDH1A1ALOX15HSD17B10TSHR | |
| SCHEMBL8980518 | 0.70 | PARP1 (0.43) | PARP1 | |
| SCHEMBL6201130 | 0.69 | ALDH1A1 (0.39) | ALDH1A1ALOX15HSD17B10TSHRNR4A1 | |
| SCHEMBL20120194 | 0.69 | TDP1 (0.42) | PARP1ALDH1A1ALOX15HSD17B10TSHR | |
| Oxalic Acid SCHEMBL21489558 | 0.68 | PARP1 (0.75) | PARP1ALDH1A1TSHRKDM4E |
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-101790518-A | Derivatives of 1-oxo-1, 2-dihydroisoquinoline-5-carboxamides and of 4-oxo-3, 4-dihydroquinazoline-8-carboxamides, preparation thereof and therapeutic use thereof | SANOFI AVENTIS | 2010-07-28 | — | — | CN | disclosed |