Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL9878787 | 0.85 | PDE4B (0.38) | TSHRPDE4BPDE4DALDH1A1NPC1 | |
| Hydrochloric Acid SCHEMBL9877620 | 0.77 | HTR2C (0.44) | HTR2C | |
| Cyclohexane SCHEMBL8149682 | 0.63 | TSHR (0.83) | TSHR | |
| SCHEMBL23809146 | 0.62 | TSHR (0.48) | TSHRALDH1A1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL27380 | 0.61 | TSHR (1.00) | TSHRALDH1A1 | |
| SCHEMBL5311581 | 0.61 | TSHR (1.00) | TSHRALDH1A1 | |
| SCHEMBL4677167 | 0.59 | TSHR (0.65) | TSHR | |
| SCHEMBL6649336 | 0.59 | TSHR (0.65) | TSHR | |
| SCHEMBL10317949 | 0.59 | TSHR (0.94) | TSHRALDH1A1 | |
| Calcium SCHEMBL2864550 | 0.59 | TSHR (0.94) | TSHRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4994464-A | Treatment of elevated intraocular pressure and glaucoma | MERCK & CO., INC. (US) | 1991-02-19 | — | — | US | disclosed |
| US-4889856-A | INTRAOCULAR PRESSURE REDUCTION; CARDIOVASCULAR DISORDERS | MERCK & CO., INC. (US) | 1989-12-26 | — | — | US | disclosed |
| EP-0276057-A2 | Piperazinylpyrimidines as beta-adrenergic receptor blocking agents | MERCK & CO. INC. (US) | 1988-07-27 | — | — | EP | disclosed |