Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.74 |
| ▸ | TSHR | P16473 | 1/20 | 0.74 |
| ▸ | GFER | P55789 | 1/20 | 0.65 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.54 |
| ▸ | HTR2A | P28223 | 3/20 | 0.54 |
| ▸ | MAOB | P27338 | 3/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | MAOA | P21397 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HTR3A | P46098 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL6314759 | 0.92 | TAAR1 (0.62) | ALDH1A1TDP1CYP3A4TSHRLOXL2 | |
| SCHEMBL143553 | 0.92 | GFER (0.77) | ALDH1A1TDP1CYP3A4TSHRGFER | |
| SCHEMBL6362605 | 0.89 | CYP3A4 (0.82) | ALDH1A1TDP1CYP3A4TSHRGFER | |
| Hydrochloric Acid SCHEMBL1879353 | 0.89 | GFER (0.72) | ALDH1A1TDP1CYP3A4TSHRGFER | |
| Hydrochloric Acid SCHEMBL3175945 | 0.89 | GFER (0.72) | ALDH1A1TDP1CYP3A4TSHRGFER | |
| Methane SCHEMBL23291301 | 0.89 | GFER (0.72) | ALDH1A1TDP1CYP3A4TSHRGFER | |
| Ammonia Solution, Strong SCHEMBL28618283 | 0.89 | GFER (0.72) | ALDH1A1TDP1CYP3A4TSHRGFER | |
| 4,4'-Methylenedianiline SCHEMBL10904310 | 0.89 | ALDH1A1 (0.75) | ALDH1A1TDP1CYP3A4TSHRGFER | |
| Ethane SCHEMBL23291175 | 0.86 | GFER (0.68) | ALDH1A1TDP1CYP3A4TSHRGFER | |
| SCHEMBL1304762 | 0.86 | CYP3A4 (1.00) | ALDH1A1TDP1CYP3A4TSHRGFER |
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-2015151068-A1 | SYNTHETIC ANALOGUES OF 3-IODOTHYRONAMINE (T1AM) AND USES THEREOF | UNIVERSITA' DI PISA (IT) | 2015-10-08 | — | — | WO | disclosed |