Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 2/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL20006392 | 0.86 | TRPA1 (0.36) | TRPA1PLK1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL1604988 | 0.84 | P2RX7 (0.43) | TRPA1PLK1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL29625809 | 0.84 | P2RX7 (0.43) | TRPA1PLK1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL25665126 | 0.82 | TRPA1 (0.43) | TRPA1PLK1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL10538627 | 0.81 | ALDH1A1 (0.40) | TRPA1PLK1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL28200146 | 0.81 | BACE1 (0.39) | TRPA1PLK1CYP1A2CYP2A6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL20984549 | 0.79 | KAT2B (0.41) | TRPA1PLK1CYP1A2CYP2A6ALDH1A1 | |
| Bromide SCHEMBL20984854 | 0.79 | BACE1 (0.38) | TRPA1PLK1CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL21351250 | 0.78 | SLC18A1 (0.35) | ALDH1A1LMNASMN1; SMN2L3MBTL1PRKCI | |
| SCHEMBL13344096 | 0.78 | ESR1 (0.45) | TRPA1PLK1CYP1A2CYP2A6ALDH1A1 |
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-20100112619-A1 | LIGAND-CONTAINING MICELLES AND USES THEREOF | GRAHAM RONALD J | 2010-05-06 | — | — | US | disclosed |
| US-5225495-A | Polyanilines | Stewart, II, Richard C. (US) | 1993-07-06 | — | — | US | disclosed |