Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.46 |
| ▸ | WNT3A | P56704 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL30065611 | 1.00 | HPGD (0.47) | HPGDKDM4ECTNNB1WNT3APARP1 | |
| SCHEMBL11793596 | 0.87 | CTNNB1 (0.49) | HPGDKDM4ECTNNB1WNT3AMEN1 | |
| SCHEMBL1353154 | 0.80 | CYP1A2 (0.51) | HPGDKDM4ECTNNB1WNT3AMEN1 | |
| SCHEMBL11793589 | 0.77 | CTNNB1 (0.49) | KDM4ECTNNB1WNT3APARP1MEN1 | |
| SCHEMBL2592748 | 0.75 | HSD17B10 (0.47) | HPGDKDM4ECTNNB1WNT3APARP1 | |
| SCHEMBL10411714 | 0.75 | PARP1 (0.45) | KDM4EPARP1MEN1ALDH1A1KMT2A | |
| SCHEMBL27414727 | 0.74 | CTNNB1 (0.46) | KDM4ECTNNB1WNT3APARP1MAPK1 | |
| SCHEMBL29953523 | 0.72 | CYP2A6 (0.58) | HPGDKDM4EPARP1MEN1ALDH1A1 | |
| SCHEMBL5002752 | 0.72 | CYP2A6 (0.58) | HPGDKDM4EPARP1MEN1ALDH1A1 | |
| SCHEMBL2034897 | 0.71 | GPR84 (0.51) | KDM4EMEN1ALDH1A1KMT2ACYP1A2 |
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-113387863-B | Preparation method of 3- (trifluoromethyl) -4-indolecarboxylic acid | 康化（上海）新药研发有限公司 | 2022-11-22 | — | — | CN | claimed |
| CN-113387863-A | Preparation method of 3- (trifluoromethyl) -4-indolecarboxylic acid | 康化（上海）新药研发有限公司 | 2021-09-14 | — | — | CN | claimed |
| CN-113387863-B | Preparation method of 3- (trifluoromethyl) -4-indolecarboxylic acid | 康化（上海）新药研发有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-113387863-B | Preparation method of 3- (trifluoromethyl) -4-indolecarboxylic acid | 康化（上海）新药研发有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-113387863-B | Preparation method of 3- (trifluoromethyl) -4-indolecarboxylic acid | 康化（上海）新药研发有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-113387863-A | Preparation method of 3- (trifluoromethyl) -4-indolecarboxylic acid | 康化（上海）新药研发有限公司 | 2021-09-14 | — | — | CN | disclosed |
| CN-113387863-A | Preparation method of 3- (trifluoromethyl) -4-indolecarboxylic acid | 康化（上海）新药研发有限公司 | 2021-09-14 | — | — | CN | disclosed |
| CN-113387863-A | Preparation method of 3- (trifluoromethyl) -4-indolecarboxylic acid | 康化（上海）新药研发有限公司 | 2021-09-14 | — | — | CN | disclosed |