Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 11/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 11/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9878241 | 0.85 | TSHR (0.38) | PDE4BPDE4DTSHRALDH1A1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL9877821 | 0.77 | HTR2C (0.44) | — | |
| Hydrochloric Acid SCHEMBL9877620 | 0.77 | HTR2C (0.44) | — | |
| SCHEMBL11108193 | 0.64 | KDM4E (0.39) | KDM4EALDH1A1L3MBTL1TP53MAPT | |
| Cyclohexane SCHEMBL8149682 | 0.63 | TSHR (0.83) | TSHRKDM4EPOLBCA1LMNA | |
| SCHEMBL14811521 | 0.63 | TSHR (0.46) | TSHRKDM4EPOLBALDH1A1L3MBTL1 | |
| Hydrogen Peroxide SCHEMBL28758135 | 0.63 | TSHR (0.94) | TSHRKDM4EPOLBALDH1A1L3MBTL1 | |
| Phenol SCHEMBL5486172 | 0.62 | TSHR (0.79) | TSHRKDM4EPOLBALDH1A1L3MBTL1 | |
| Phenol SCHEMBL21518644 | 0.62 | TSHR (0.79) | TSHRKDM4EPOLBALDH1A1L3MBTL1 | |
| Hydroquinone SCHEMBL51561 | 0.62 | TSHR (0.79) | TSHRKDM4EPOLBALDH1A1CA1 |
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 |