Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 4/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8116258 | 0.80 | SLC6A2 (0.55) | TSHRSLC6A4SLC6A2SLC6A3AOC3 | |
| SCHEMBL1096448 | 0.78 | TSHR (0.56) | TSHRESR1ESR2TRPA1MAP2K1 | |
| SCHEMBL955278 | 0.77 | TRPA1 (0.48) | TSHRESR1ESR2TRPA1MAP2K1 | |
| SCHEMBL6309534 | 0.76 | ESR1 (0.56) | TSHRESR1ESR2TRPA1MAP2K1 | |
| SCHEMBL819626 | 0.76 | ESR1 (0.56) | TSHRESR1ESR2TRPA1MAP2K1 | |
| SCHEMBL8102784 | 0.75 | TSHR (0.58) | TSHRSLC6A4SLC6A2SLC6A3ESR1 | |
| SCHEMBL6362392 | 0.75 | TSHR (0.58) | TSHRESR1ESR2TRPA1MAP2K1 | |
| Hydrochloric Acid SCHEMBL5299628 | 0.75 | TRPA1 (0.46) | TSHRESR1ESR2TRPA1MAP2K1 | |
| SCHEMBL16428493 | 0.74 | TSHR (0.56) | TSHRESR1ESR2TRPA1MAP2K1 | |
| SCHEMBL14761543 | 0.72 | TSHR (0.39) | TSHRSLC6A4SLC6A2SLC6A3TRPA1 |
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-6069177-A | ADMINISTERING TO THE HUMAN AN EFFECTIVE ANTIDEPRESSANT DOSE OF THE COMPOUND 3-HYDROXY-4,4-DIMETHYL-2-(2'-NAPHTHYL)PENTYL-N,N-DIMETHYLAMINE OR SALT | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) | 2000-05-30 | — | — | US | disclosed |