Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.50 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.46 |
| ▸ | KDM1A | O60341 | 6/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 2/20 | 0.42 |
| ▸ | S100B | P04271 | 2/20 | 0.42 |
| ▸ | TERT | O14746 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL142269 | 1.00 | CYP11B1 (0.50) | CYP11B1CYP11B2TRPV4KDM1AIDO1 | |
| SCHEMBL30895187 | 0.98 | CYP11B1 (0.51) | CYP11B1CYP11B2TRPV4KDM1AIDO1 | |
| SCHEMBL15285392 | 0.87 | LMNA (0.40) | CYP11B1CYP11B2KDM1AKDM4ELMNA | |
| SCHEMBL573806 | 0.84 | LMNA (0.50) | KDM4ELMNAMAPTHTTNSD2 | |
| SCHEMBL2944271 | 0.83 | DRD2 (0.55) | TRPV4KDM4EALDH1A1TP53PARP1 | |
| SCHEMBL28720529 | 0.83 | HTR6 (0.53) | TRPV4IDO1TDO2KDM4ELMNA | |
| SCHEMBL1237566 | 0.83 | KDM4E (0.63) | TRPV4IDO1TDO2KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL23302481 | 0.82 | DRD2 (0.54) | TRPV4KDM4EMAPTALDH1A1TP53 | |
| SCHEMBL20639942 | 0.82 | KDM4E (0.46) | CYP11B1CYP11B2TRPV4IDO1TDO2 | |
| Hydrochloric Acid SCHEMBL29883021 | 0.82 | DRD2 (0.54) | TRPV4KDM4EMAPTALDH1A1TP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8815909-B2 | Diaminocyclohexane compounds and uses thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-08-26 | — | — | US | disclosed |