Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.48 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4305121 | 0.87 | CYP1A2 (0.50) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL29386273 | 0.78 | RAB9A (0.66) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL28437897 | 0.78 | RAB9A (0.66) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL4307233 | 0.77 | CBFB (0.49) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL4311696 | 0.76 | CCR9 (0.48) | CYP1A2CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL4307803 | 0.74 | CYP1A2 (0.51) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL7825959 | 0.73 | NPC1 (0.50) | CYP1A2CYP2C19NPC1RAB9ACYP3A4 | |
| SCHEMBL4312658 | 0.72 | PDE3B (0.45) | CYP1A2CYP2E1CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL30705213 | 0.68 | RAB9A (0.71) | NPC1RAB9AKDM4EALDH1A1TP53 | |
| SCHEMBL1905967 | 0.68 | RAB9A (0.71) | NPC1RAB9AKDM4EALDH1A1TP53 |
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-20090062280-A1 | Ophthalmic Compositions for Treating Ocular Hypertension | MERCK SHARP & DOHME CORP. | 2009-03-05 | — | — | US | disclosed |
| EP-2004193-A2 | OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION | Merck & Co., Inc. (US) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007108968-A2 | OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION | MERCK & CO., INC. (US) | 2007-09-27 | — | — | WO | 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-20090062280-A1 | Ophthalmic Compositions for Treating Ocular Hypertension | KCNN3, KCNN1, KCNN2 | CYP1A2 3874/4885CYP2E1 4634/4885CYP2C8 4399/4885 |
“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.