Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 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 | |
|---|---|---|---|---|
| SCHEMBL1486298 | 0.79 | SIGMAR1 (0.53) | TSHRCYP2A6CYP1A2HSD17B10ALDH1A1 | |
| SCHEMBL13021638 | 0.79 | TSHR (0.56) | TSHRCYP2A6CYP1A2NCEH1HPGD | |
| SCHEMBL29861991 | 0.79 | TSHR (0.56) | TSHRCYP2A6CYP1A2NCEH1HPGD | |
| Hydrochloric Acid SCHEMBL27746571 | 0.77 | TSHR (0.54) | TSHRCYP2A6CYP1A2NCEH1HPGD | |
| SCHEMBL6689987 | 0.75 | TSHR (0.47) | TSHRCYP2A6CYP1A2NCEH1HPGD | |
| SCHEMBL29951280 | 0.69 | TSHR (0.54) | TSHRCYP2A6CYP1A2NCEH1HPGD | |
| SCHEMBL2049662 | 0.69 | TSHR (0.54) | TSHRCYP2A6CYP1A2NCEH1HPGD | |
| SCHEMBL3644205 | 0.69 | ERN1 (0.55) | TSHRCYP2A6CYP1A2HPGDHSD17B10 | |
| SCHEMBL2093826 | 0.69 | ALDH1A1 (0.43) | TSHRCYP3A4ALDH1A1SIGMAR1MAPT | |
| Formamide SCHEMBL10437500 | 0.68 | TSHR (0.76) | TSHRCYP2A6CYP1A2NCEH1HPGD |
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-2004080945-A1 | PROCESS FOR THE PREPARATION OF N-METHYL-1-NAPHTHALENEMETHANAMINE | NATCO PHARMA LIMITED (IN) | 2004-09-23 | — | — | WO | disclosed |