Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL6280646 | 0.80 | CYP3A4 (0.53) | KMT2AMEN1SMN1; SMN2LMNATSHR | |
| SCHEMBL6281817 | 0.76 | SMN1; SMN2 (0.45) | KMT2AMEN1SMN1; SMN2LMNATSHR | |
| SCHEMBL7248964 | 0.74 | ALDH1A1 (0.53) | KMT2AMEN1SMN1; SMN2LMNATSHR | |
| SCHEMBL27777311 | 0.66 | CHRM3 (0.56) | KMT2AMEN1LMNATSHRKDM4E | |
| SCHEMBL25183681 | 0.65 | CYP3A4 (0.73) | CYP3A4GAAKDM4EALDH1A1 | |
| SCHEMBL25190612 | 0.65 | CYP3A4 (0.73) | CYP3A4GAAKDM4EALDH1A1 | |
| SCHEMBL19354484 | 0.65 | CYP3A4 (0.73) | CYP3A4GAAKDM4EALDH1A1 | |
| SCHEMBL11698405 | 0.65 | CYP3A4 (0.56) | SMN1; SMN2TSHRHSD17B10CYP3A4ALDH1A1 | |
| SCHEMBL10726419 | 0.65 | ADRB2 (0.60) | LMNATSHRALDH1A1 | |
| SCHEMBL7267761 | 0.65 | KDM4E (0.65) | KMT2AMEN1SMN1; SMN2LMNATSHR |
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-6552023-B2 | N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life | CV THERAPEUTICS, INC. | 2003-04-22 | — | — | US | disclosed |