Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 3/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.40 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.40 |
| ▸ | TACR3 | P29371 | 2/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TRIM58 | Q8NG06 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MPI | P34949 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27937816 | 0.81 | HTR6 (0.47) | HTR6TDP1CYP1A2TRIM58ALDH1A1 | |
| SCHEMBL18201517 | 0.79 | CDC25B (0.58) | HTR6TDP1ALDH1A1HPGDKDM4E | |
| SCHEMBL24553530 | 0.78 | CDC25B (0.52) | PTGER4TDP1ALDH1A1HPGDKDM4E | |
| SCHEMBL20987744 | 0.78 | CDC25B (0.52) | PTGER4TDP1ALDH1A1HPGDKDM4E | |
| SCHEMBL27937848 | 0.76 | CYP1A2 (0.41) | TDP1CYP1A2CYP2A6ALDH1A1HPGD | |
| SCHEMBL4433796 | 0.76 | CYP2A6 (0.57) | TDP1CYP1A2CYP2A6ALDH1A1HPGD | |
| Biphenyl SCHEMBL28243099 | 0.76 | PTGES (0.43) | HTR6PTGER4TDP1NUDT1CYP1A2 | |
| SCHEMBL16194439 | 0.75 | ALDH1A1 (0.53) | TDP1CYP1A2CYP2A6ALDH1A1HPGD | |
| SCHEMBL15793293 | 0.75 | PDE5A (0.45) | HTR6PTGER4PRKCZPRKD2TACR3 | |
| SCHEMBL28987538 | 0.75 | MMP2 (0.55) | PRKCZPRKD2TACR3CYP1A2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116003260-B | Method for preparing 1-naphthylamine compound from urea derivative and prediction model thereof | 广州国家实验室 | 2023-07-18 | — | — | CN | disclosed |
| CN-116003260-A | Method for preparing 1-naphthylamine compound from urea derivative and prediction model thereof | 广州国家实验室 | 2023-04-25 | — | — | CN | disclosed |
| CN-103298772-B | Method for producing aromatic alcohol or heterocyclic aromatic alcohol | MITSUBISHI GAS CHEMICAL CO | 2015-06-24 | — | — | CN | disclosed |
| CN-103298772-A | Method for producing aromatic alcohol or heterocyclic aromatic alcohol | MITSUBISHI GAS CHEMICAL CO | 2013-09-11 | — | — | CN | disclosed |