Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL18293100 | 0.78 | HTR2A (0.38) | HTR2ACYP3A4MEN1CYP2D6ALOX15 | |
| SCHEMBL8829487 | 0.77 | HTR2A (0.41) | HTR2AKMT2AOPRM1 | |
| SCHEMBL8829484 | 0.77 | HTR2A (0.41) | HTR2AKMT2AOPRM1 | |
| SCHEMBL8829485 | 0.77 | HTR2A (0.41) | HTR2AKMT2AOPRM1 | |
| SCHEMBL2392890 | 0.74 | HTR2A (0.39) | HTR2AKMT2AOPRM1 | |
| SCHEMBL1307840 | 0.74 | HTR2A (0.39) | HTR2A | |
| SCHEMBL15717675 | 0.72 | HTR2A (0.41) | HTR2ACYP3A4MEN1CYP2D6ALOX15 | |
| SCHEMBL15717672 | 0.72 | HTR2A (0.41) | HTR2ACYP3A4MEN1CYP2D6ALOX15 | |
| SCHEMBL15717673 | 0.72 | HTR2A (0.41) | HTR2ACYP3A4MEN1CYP2D6ALOX15 | |
| SCHEMBL18293101 | 0.72 | HTR2A (0.35) | HTR2AKMT2AOPRM1 |
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-114560775-A | Preparation method of (R, S) -7-fluoro-1, 1, 3-trimethyl-2, 3-dihydro-1H-indene-4-amine | 绵阳师范学院 | 2022-05-31 | — | — | CN | disclosed |
| CN-108777958-B | Process for converting the S-enantiomer into its racemic form | FMC有限公司 | 2021-03-12 | — | — | CN | disclosed |