Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 10/20 | 0.39 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | SI | P14410 | 1/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31327398 | 0.92 | CYP1A2 (0.44) | TSHRCYP1A2EPHX2TOP2AALDH1A1 | |
| SCHEMBL8640267 | 0.88 | TSHR (0.46) | TSHRCYP1A2EPHX2TOP2ACYP3A4 | |
| SCHEMBL8643850 | 0.87 | TSHR (0.44) | TSHRCYP1A2EPHX2TOP2ACYP3A4 | |
| SCHEMBL23007925 | 0.84 | CYP1A2 (0.42) | TSHRCYP1A2EPHX2TOP2AMGAM | |
| SCHEMBL22980572 | 0.80 | CYP1A2 (0.44) | TSHRCYP1A2EPHX2TOP2ACYP3A4 | |
| SCHEMBL28524188 | 0.79 | CNR2 (0.39) | ALDH1A1CYP2C19 | |
| SCHEMBL25866514 | 0.79 | CYP1A2 (0.43) | TSHRCYP1A2EPHX2TOP2ACYP3A4 | |
| SCHEMBL8640882 | 0.79 | TSHR (0.39) | TSHRCYP1A2EPHX2TOP2AALDH1A1 | |
| SCHEMBL7718359 | 0.78 | NAAA (0.40) | EPHX2 | |
| Hydrochloric Acid SCHEMBL10803853 | 0.78 | TSHR (0.39) | TSHRCYP1A2EPHX2TOP2AALDH1A1 |
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-5610161-A | 1-AZASPIROALKANE DERIVATIVES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS; EATING DISORDERS | THE BOOTS COMPANY PLC (GB) | 1997-03-11 | — | — | US | disclosed |