Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.43 |
| ▸ | CTRC | Q99895 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18464809 | 0.94 | CYP1A2 (0.46) | CYP2A6TDP1CYP1A2SMN1; SMN2ALDH1A1 | |
| SCHEMBL24270298 | 0.90 | GSTP1 (0.52) | CYP1A2SMN1; SMN2ALDH1A1CYP2C9HPGD | |
| SCHEMBL18464129 | 0.79 | CYP2A6 (0.38) | CYP2A6TDP1CYP1A2SMN1; SMN2ALDH1A1 | |
| SCHEMBL17996026 | 0.77 | CYP2A6 (0.81) | CYP2A6TDP1CYP1A2SMN1; SMN2ALDH1A1 | |
| SCHEMBL24270301 | 0.76 | RAB9A (0.46) | SMN1; SMN2ALDH1A1HPGDTSHRNPSR1 | |
| SCHEMBL862821 | 0.75 | COMT (0.40) | TDP1SMN1; SMN2ALDH1A1TSHRNPSR1 | |
| SCHEMBL3357714 | 0.75 | TDP1 (0.57) | CYP2A6TDP1CYP1A2SMN1; SMN2ALDH1A1 | |
| SCHEMBL18464326 | 0.75 | NPC1 (0.43) | TDP1SMN1; SMN2ALDH1A1HPGDTSHR | |
| SCHEMBL711834 | 0.74 | GSTP1 (0.57) | CYP2A6CYP1A2CYP2C9CYP3A4GSTP1 | |
| SCHEMBL20806202 | 0.74 | COMT (0.39) | TDP1SMN1; SMN2ALDH1A1TSHRNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-11015123-B2 | Liquid-crystal material | MERCK PATENT GMBH (DE) | 2021-05-25 | — | — | US | disclosed |
| US-20200255741-A1 | LIQUID-CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2020-08-13 | — | — | US | disclosed |