Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 8/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | ACACA | Q13085 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7650737 | 0.78 | MTNR1A (0.40) | CTRB1MTNR1AMTNR1BACACBACACA | |
| SCHEMBL7645747 | 0.71 | — | — | |
| SCHEMBL6693251 | 0.66 | MTNR1A (0.48) | CTRB1CYP1A2CYP2C19HSD17B10MTNR1A | |
| SCHEMBL14361703 | 0.66 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL3735283 | 0.66 | CYP1A2 (0.63) | CTRB1CYP1A2CYP2C19HSD17B10MTNR1A | |
| SCHEMBL14663948 | 0.65 | LMNA (0.46) | CYP1A2CYP2C19HSD17B10MTNR1AMTNR1B | |
| SCHEMBL14663976 | 0.65 | LMNA (0.46) | CYP1A2CYP2C19HSD17B10MTNR1AMTNR1B | |
| SCHEMBL3242695 | 0.65 | SMN1; SMN2 (0.43) | CYP1A2CYP2C19HSD17B10ALDH1A1 | |
| SCHEMBL425361 | 0.64 | ALDH1A1 (0.58) | MTNR1AMTNR1BKMT2AKDM4EALDH1A1 | |
| SCHEMBL119711 | 0.63 | TRPV6 (0.39) | CYP2C19ALDH1A1 |
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-2002022137-A1 | β-LACTAM ANALOGS AND USES THEREFOR | SHOICHET BRIAN K (US) | 2002-03-21 | — | — | WO | disclosed |