Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | ACSS2 | Q9NR19 | 3/20 | 0.34 |
| ▸ | PDE5A | O76074 | 5/20 | 0.34 |
| ▸ | PDE6A | P16499 | 4/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | TSPO | P30536 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6047792 | 0.87 | MC4R (0.36) | ROCK1ACSS2PDE5APDE6AS1PR1 | |
| SCHEMBL4696582 | 0.86 | ROCK1 (0.38) | ROCK1ACSS2PDE5APDE6AS1PR1 | |
| SCHEMBL6047826 | 0.85 | SMN1; SMN2 (0.32) | TSPOLMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4696223 | 0.83 | MTNR1A (0.43) | ACSS2TSPOKDM4ENPC1ALDH1A1 | |
| SCHEMBL6047805 | 0.82 | MTNR1A (0.41) | ACSS2TSPOKDM4ENPC1ALDH1A1 | |
| SCHEMBL6047806 | 0.81 | ALDH1A1 (0.44) | TSPOKDM4ENPC1ALDH1A1LMNA | |
| SCHEMBL6047799 | 0.81 | CYP1A2 (0.38) | ALDH1A1LMNAHPGDCYP1A2CYP3A4 | |
| SCHEMBL4752874 | 0.80 | TSPO (0.34) | TSPO | |
| SCHEMBL6047787 | 0.80 | PDE10A (0.37) | PDE5A | |
| SCHEMBL6047769 | 0.80 | KDM4E (0.43) | ACSS2TSPOKDM4ENPC1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060148805-A1 | Opthalmic compositions for treating ocular hypertension | MERCK SHARP & DOHME CORP. | 2006-07-06 | — | — | US | claimed |
| US-20060148805-A1 | Opthalmic compositions for treating ocular hypertension | MERCK SHARP & DOHME CORP. | 2006-07-06 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060148805-A1 | Opthalmic compositions for treating ocular hypertension | KCNH2, KCNH3, KCNN1 | ROCK1 151/4885ACSS2 2658/4885PDE5A 238/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.