Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | SHBG | P04278 | 1/20 | 0.52 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | G6PD | P11413 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11580821 | 1.00 | LMNA (0.52) | LMNAGPBAR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL15959577 | 1.00 | LMNA (0.52) | LMNAGPBAR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL15959585 | 1.00 | LMNA (0.52) | LMNAGPBAR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11580824 | 1.00 | LMNA (0.52) | LMNAGPBAR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL15959419 | 0.91 | LMNA (0.52) | LMNAGPBAR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL15959412 | 0.91 | LMNA (0.52) | LMNAGPBAR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29564370 | 0.89 | LMNA (0.51) | LMNAGPBAR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL15953333 | 0.89 | LMNA (0.51) | LMNAGPBAR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL15838019 | 0.89 | LMNA (0.51) | LMNAGPBAR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL15837577 | 0.89 | LMNA (0.51) | LMNAGPBAR1CYP1A2CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014100228-A1 | NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME | WASHINGTON UNIVERSITY (US) | 2014-06-26 | — | — | WO | disclosed |