Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20071701 | 0.86 | CYP2A6 (0.32) | TDP1ALDH1A1CYP2A6 | |
| SCHEMBL20071442 | 0.84 | CYP2A6 (0.34) | TDP1ALDH1A1CYP2A6 | |
| SCHEMBL13510731 | 0.82 | ALDH1A1 (0.44) | TDP1ALDH1A1HSD17B10TSHRCYP2A6 | |
| SCHEMBL6569207 | 0.81 | TDP1 (0.43) | TDP1ALDH1A1HSD17B10TSHRCYP2A6 | |
| SCHEMBL29625640 | 0.81 | TDP1 (0.41) | TDP1ALDH1A1HSD17B10TSHRCYP2A6 | |
| SCHEMBL20154638 | 0.81 | TSHR (0.45) | TDP1ALDH1A1HSD17B10TSHRCYP2A6 | |
| SCHEMBL22213918 | 0.81 | TDP1 (0.38) | TDP1ALDH1A1HSD17B10TSHRCYP2A6 | |
| SCHEMBL14917518 | 0.80 | ALDH1A1 (0.50) | ALDH1A1ATML3MBTL1HPGDMGLL | |
| SCHEMBL29625568 | 0.79 | TDP1 (0.41) | TDP1ALDH1A1HSD17B10TSHRCYP2A6 | |
| SCHEMBL24374220 | 0.78 | CYP2A6 (0.47) | TDP1ALDH1A1CYP2A6CNR1CNR2 |
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-115043735-B | Reaction method of secondary amine and o-diiodobenzene | 苏州大学 | 2024-07-05 | — | — | CN | disclosed |
| CN-115043735-A | Reaction method of secondary amine and o-diiodobenzene | 苏州大学 | 2022-09-13 | — | — | CN | disclosed |