Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.47 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TLR4 | O00206 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | MT-CO2 | P00403 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9328018 | 1.00 | SLC18A3 (0.51) | SLC18A3MCL1MAPTDDB1CRBN | |
| SCHEMBL190786 | 1.00 | SLC18A3 (0.51) | SLC18A3MCL1MAPTDDB1CRBN | |
| SCHEMBL28417815 | 0.98 | SLC18A3 (0.50) | SLC18A3MCL1MAPTDDB1CRBN | |
| SCHEMBL15874614 | 0.98 | SLC18A3 (0.50) | SLC18A3MCL1MAPTDDB1CRBN | |
| SCHEMBL30882060 | 0.98 | SLC18A3 (0.50) | SLC18A3MCL1MAPTDDB1CRBN | |
| Hydrogen Peroxide SCHEMBL14842506 | 0.98 | MCL1 (0.53) | SLC18A3MCL1MAPTDDB1CRBN | |
| SCHEMBL4063122 | 0.98 | SLC18A3 (0.50) | SLC18A3MCL1MAPTDDB1CRBN | |
| SCHEMBL15660493 | 0.98 | SLC18A3 (0.50) | SLC18A3MCL1MAPTDDB1CRBN | |
| Formaldehyde SCHEMBL28906285 | 0.96 | SLC18A3 (0.49) | SLC18A3MCL1MAPTDDB1CRBN | |
| SCHEMBL361599 | 0.94 | DDB1 (0.48) | SLC18A3MCL1MAPTDDB1CRBN |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014109712-A1 | PALLADIUM-CATALYZED ASYMMETRIC (HETERO)ARYLATION AND VINYLATION OF KETONE ENOLATES TO PRODUCE TERTIARY STEREOCENTERS AT ALPHA(α)-POSITION | NANAYNG TECHNOLOGICAL UNIVERSITY (SG) | 2014-07-17 | — | — | WO | disclosed |
| WO-2014109712-A1 | PALLADIUM-CATALYZED ASYMMETRIC (HETERO)ARYLATION AND VINYLATION OF KETONE ENOLATES TO PRODUCE TERTIARY STEREOCENTERS AT ALPHA(α)-POSITION | NANAYNG TECHNOLOGICAL UNIVERSITY (SG) | 2014-07-17 | — | — | WO | disclosed |