Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GGT1 | P19440 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL5712864 | 0.88 | KMT2A (0.44) | ALDH1A1KDM4EHPGDHSD17B10ALOX15 | |
| SCHEMBL10960854 | 0.83 | AKR1C3 (0.50) | ALDH1A1KDM4EHPGDHSD17B10ALOX15 | |
| SCHEMBL15717270 | 0.83 | TSHR (0.53) | ALDH1A1KDM4EHPGDHSD17B10ALOX15 | |
| SCHEMBL10578634 | 0.82 | ALDH1A1 (0.51) | ALDH1A1KDM4EHPGDHSD17B10ALOX15 | |
| SCHEMBL8380942 | 0.82 | IRAK4 (0.49) | ALDH1A1KDM4EHPGDHSD17B10KMT2A | |
| SCHEMBL15782123 | 0.82 | KDM4E (0.49) | ALDH1A1KDM4EHPGDHSD17B10ALOX15 | |
| SCHEMBL29140710 | 0.82 | KDM4E (0.40) | ALDH1A1KDM4EHPGDHSD17B10ALOX15 | |
| SCHEMBL28477237 | 0.81 | IRAK4 (0.47) | ALDH1A1KDM4EHPGDHSD17B10KMT2A | |
| SCHEMBL12289145 | 0.79 | KDM4E (0.46) | ALDH1A1KDM4EHPGDHSD17B10ALOX15 | |
| SCHEMBL27519880 | 0.79 | ACMSD (0.53) | KDM4ECDC25BRECQL |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109481444-A | A kind of taxol and phthalazines class BTK inhibitor drug combination compositions and its application | 南京先进生物材料与过程装备研究院有限公司 | 2019-03-19 | — | — | CN | disclosed |
| CN-109481442-A | A kind of taxol and adjacent phenyl phthalazines ketone BTK inhibitor drug combination compositions and its application | 南京先进生物材料与过程装备研究院有限公司 | 2019-03-19 | — | — | CN | disclosed |
| CN-109394765-A | A kind of taxol and to phenyl phthalazines ketone BTK inhibitor drug combination compositions and its application | 南京先进生物材料与过程装备研究院有限公司 | 2019-03-01 | — | — | CN | disclosed |
| CN-109336863-A | A kind of novel phthalazines ketone BTK inhibitor, preparation and its application | 南京先进生物材料与过程装备研究院有限公司 | 2019-02-15 | — | — | CN | disclosed |
| CN-109223759-A | A kind of taxol and novel phthalazines ketone BTK inhibitor drug combination compositions and its application | 南京先进生物材料与过程装备研究院有限公司 | 2019-01-18 | — | — | CN | disclosed |
| CN-109180642-A | Phthalazines ketone BTK inhibitor and its application | 南京先进生物材料与过程装备研究院有限公司 | 2019-01-11 | — | — | CN | disclosed |
| CN-1121391-C | Substituted 3-cyano quinolines | AMERICAN CYANAMID CO (US) | 2003-09-17 | — | — | CN | disclosed |
| CN-1259125-A | Substituted 3-cyanoquinolines | AMERICAN CYANAMID CO (US) | 2000-07-05 | — | — | CN | disclosed |