Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21461475 | 0.84 | TDP1 (0.47) | TDP1HCAR3CRHBPCRHR2HTT | |
| SCHEMBL28391943 | 0.81 | TDP1 (0.81) | TDP1ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL28553684 | 0.80 | FABP3 (0.52) | TDP1HCAR3CRHBPCRHR2HTT | |
| SCHEMBL1982270 | 0.76 | L3MBTL1 (0.61) | TDP1HCAR3HTTMAPTALDH1A1 | |
| SCHEMBL487351 | 0.76 | MAPK1 (0.58) | TDP1HCAR3MAPTKMT2AALDH1A1 | |
| SCHEMBL8407132 | 0.75 | ALDH1A1 (0.49) | TDP1HCAR3HTTMAPTKMT2A | |
| SCHEMBL1557360 | 0.74 | HCAR3 (0.49) | TDP1HCAR3HTTMAPTKMT2A | |
| SCHEMBL5635692 | 0.74 | TDP1 (0.63) | TDP1CRHBPCRHR2MAPTKMT2A | |
| SCHEMBL278488 | 0.73 | TDP1 (1.00) | TDP1ALDH1A1HPGDHTR2AHTR2C | |
| SCHEMBL27707234 | 0.72 | VCAM1 (0.42) | TDP1HCAR3HTTMAPTKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112745237-B | 2-arylamine compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2023-06-20 | — | — | CN | disclosed |
| CN-112745237-A | 2-arylamine compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-05-04 | — | — | CN | disclosed |