Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | USP5 | P45974 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2170246 | 0.79 | CYP2C19 (0.41) | SMN1; SMN2CYP2C19ATML3MBTL1 | |
| SCHEMBL21551717 | 0.77 | GABBR2 (0.39) | SMN1; SMN2IDO1CYP2C19 | |
| SCHEMBL2150854 | 0.77 | ESR1 (0.44) | SMN1; SMN2CYP2C9KDM4ECYP2C19TDP1 | |
| SCHEMBL9003499 | 0.76 | CYP2C19 (0.55) | SMN1; SMN2KDM4ECYP2C19ATML3MBTL1 | |
| SCHEMBL6714539 | 0.75 | IDO1 (0.41) | TYRNPC1RAB9ASMN1; SMN2IDO1 | |
| SCHEMBL7193434 | 0.73 | ALDH1A1 (0.52) | TYRNPC1RAB9ASMN1; SMN2IDO1 | |
| SCHEMBL11131813 | 0.73 | SLC6A2 (0.38) | SMN1; SMN2KDM4ECYP2C19ALDH1A1POLB | |
| SCHEMBL5040126 | 0.72 | SLC6A2 (0.36) | SMN1; SMN2CYP2C9CYP2C19TDP1ALDH1A1 | |
| SCHEMBL13492650 | 0.71 | IDO1 (0.38) | TYRNPC1RAB9ASMN1; SMN2IDO1 | |
| SCHEMBL22728188 | 0.71 | ATM (0.44) | SMN1; SMN2CYP2C9KDM4ECYP2C19ATM |
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 |
|---|---|---|---|---|---|---|---|
| JP-10153686-A | — | — | None | — | — | JP | disclosed |
| JP-H10153686-A | USE OF 1-ISOPROPYL-4-DIALKYL=METHYL=BENZEN COMPOUND AS INHIBITOR FOR FREE RADICAL GENERATION | COMMISS ENERG ATOM | 1998-06-09 | — | — | JP | disclosed |