Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | THRA | P10827 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27760523 | 1.00 | CYP3A4 (0.35) | CYP3A4KDM4ECHRM2CHRM1CHRM3 | |
| SCHEMBL27760446 | 1.00 | CYP3A4 (0.35) | CYP3A4KDM4ECHRM2CHRM1CHRM3 | |
| SCHEMBL27905596 | 0.90 | ALOX5 (0.32) | CYP3A4CHRM2CHRM1CHRM3ALDH1A1 | |
| SCHEMBL27613018 | 0.90 | THRA (0.35) | CYP3A4KDM4ECHRM2CHRM1CHRM3 | |
| SCHEMBL27594438 | 0.90 | THRA (0.35) | CYP3A4KDM4ECHRM2CHRM1CHRM3 | |
| SCHEMBL27740843 | 0.90 | THRA (0.35) | CYP3A4KDM4ECHRM2CHRM1CHRM3 | |
| SCHEMBL28803663 | 0.88 | CHRM2 (0.35) | CHRM2CHRM1CHRM3 | |
| SCHEMBL28181637 | 0.88 | CHRM2 (0.35) | CHRM2CHRM1CHRM3 | |
| SCHEMBL27695299 | 0.88 | CHRM2 (0.35) | CHRM2CHRM1CHRM3 | |
| SCHEMBL27493732 | 0.86 | THRA (0.39) | NR1H2THRATHRB |
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-101541760-B | Diaminocyclohexane and diaminocyclopentane derivatives | HOFFMAN-LA ROCHE LTD. (CH) | 2012-02-08 | — | — | CN | disclosed |
| CN-101541760-A | Diaminocyclohexane and diaminocyclopentane derivatives | HOFFMANN LA ROCHE (CH) | 2009-09-23 | — | — | CN | disclosed |