Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 3/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9003677 | 0.82 | CYP2A6 (0.41) | CYP2A6MAPTMAOBLOXL2NPC1 | |
| SCHEMBL8757782 | 0.82 | MAOA (0.34) | CYP2A6MAOBMAOACYP11B1CYP11B2 | |
| SCHEMBL2325040 | 0.81 | TSHR (0.48) | CYP2A6MAPTMAOBLOXL2NPC1 | |
| SCHEMBL9003759 | 0.78 | TSHR (0.39) | CYP2A6MAPTMAOBLOXL2NPC1 | |
| SCHEMBL9003590 | 0.76 | CYP2A6 (0.36) | CYP2A6MAPTMAOBLOXL2NPC1 | |
| SCHEMBL9003665 | 0.75 | MAPT (0.35) | CYP2A6MAPTMAOBLOXL2NPC1 | |
| SCHEMBL9003525 | 0.72 | MAOB (0.35) | MAPTMAOBNPC1RAB9AMAOA | |
| SCHEMBL309451 | 0.72 | LMNA (0.38) | CYP2A6MAOATSHR | |
| SCHEMBL9003389 | 0.72 | — | — | |
| Lithium Ion SCHEMBL9003568 | 0.71 | LMNA (0.37) | CYP2A6MAOATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5500453-A | INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS | TOYO INK MANUFACTURING CO., LTD. (JP) | 1996-03-19 | — | — | US | disclosed |