Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL29356198 | 0.82 | PLAU (0.53) | TDP1TSHRALDH1A1GRIA2KMT2A | |
| SCHEMBL16329327 | 0.82 | PLAU (0.53) | TDP1TSHRALDH1A1GRIA2KMT2A | |
| SCHEMBL38656863 | 0.80 | TDP1 (0.44) | TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL18887676 | 0.79 | TDP1 (0.67) | TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL16774460 | 0.78 | CYP3A4 (0.43) | TSHR | |
| SCHEMBL8222001 | 0.77 | TDP1 (0.64) | TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL3305095 | 0.77 | TDP1 (0.64) | TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL19569929 | 0.77 | TDP1 (0.48) | TDP1TSHRSMN1; SMN2ALDH1A1GRIA2 | |
| SCHEMBL13019646 | 0.76 | TDP1 (0.62) | TDP1TSHRSMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL472112 | 0.75 | TDP1 (1.00) | TDP1TSHRSMN1; SMN2ALDH1A1KMT2A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113527332-B | Biological activity-possessed caspovir derivative, and preparation method and application thereof | 南开大学 | 2022-07-26 | — | — | CN | claimed |
| CN-113527333-A | Dolutegravir derivative with biological activity and preparation method and application thereof | 南开大学 | 2021-10-22 | — | — | CN | claimed |
| CN-113527332-A | Kabauvir derivative with biological activity and preparation method and application thereof | 南开大学 | 2021-10-22 | — | — | CN | claimed |
| CN-114671874-B | Theophylline acetic acid derivative with anti-tumor activity and preparation method and application thereof | 济南爱思医药科技有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-113527333-B | Dolutegravir derivative with biological activity and preparation method and application thereof | 南开大学 | 2022-08-05 | — | — | CN | disclosed |
| CN-113527332-B | Biological activity-possessed caspovir derivative, and preparation method and application thereof | 南开大学 | 2022-07-26 | — | — | CN | disclosed |
| CN-114671874-A | Theophylline acetic acid derivative with anti-tumor activity and preparation method and application thereof | 济南爱思医药科技有限公司 | 2022-06-28 | — | — | CN | disclosed |
| CN-113980022-B | Theophylline acetic acid derivative with antitumor activity and preparation method thereof | 南开大学 | 2022-06-21 | — | — | CN | disclosed |
| CN-113980022-A | Theophylline acetic acid derivative with antitumor activity and preparation method thereof | 南开大学 | 2022-01-28 | — | — | CN | disclosed |
| CN-113527333-A | Dolutegravir derivative with biological activity and preparation method and application thereof | 南开大学 | 2021-10-22 | — | — | CN | disclosed |
| CN-113527332-A | Kabauvir derivative with biological activity and preparation method and application thereof | 南开大学 | 2021-10-22 | — | — | CN | disclosed |
| CN-104876913-B | Preparation method of 4,6-dimethyl-2-thiopyrimidine-1,2,3-triazole compound with antitumor activity | 河南师范大学 | 2017-01-25 | — | — | CN | disclosed |
| CN-104876913-A | Preparation method of 4,6-dimethyl-2-thiopyrimidine-1,2,3-triazole compound with antitumor activity | UNIV HENAN NORMAL | 2015-09-02 | — | — | CN | disclosed |