Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | DRD1 | P21728 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL21688483 | 0.82 | SMN1; SMN2 (0.72) | SMN1; SMN2BLMHTTNPSR1ALDH1A1 | |
| SCHEMBL2519561 | 0.82 | SMN1; SMN2 (0.72) | SMN1; SMN2BLMHTTNPSR1ALDH1A1 | |
| SCHEMBL1629066 | 0.82 | SMN1; SMN2 (0.72) | SMN1; SMN2BLMHTTNPSR1ALDH1A1 | |
| Fumaric Acid SCHEMBL7769369 | 0.82 | SMN1; SMN2 (0.71) | SMN1; SMN2BLMHTTNPSR1ALDH1A1 | |
| Maleic Acid SCHEMBL7769362 | 0.82 | SMN1; SMN2 (0.71) | SMN1; SMN2BLMHTTNPSR1ALDH1A1 | |
| SCHEMBL30673515 | 0.80 | CYP1A2 (0.67) | SMN1; SMN2BLMHTTNPSR1ALDH1A1 | |
| SCHEMBL23789641 | 0.80 | SMN1; SMN2 (0.68) | SMN1; SMN2BLMHTTNPSR1ALDH1A1 | |
| SCHEMBL6706561 | 0.80 | SMN1; SMN2 (0.54) | SMN1; SMN2BLMHTTNPSR1ALDH1A1 | |
| SCHEMBL1588408 | 0.79 | SMN1; SMN2 (0.78) | SMN1; SMN2BLMHTTNPSR1ALDH1A1 | |
| SCHEMBL1588404 | 0.79 | SMN1; SMN2 (0.78) | SMN1; SMN2BLMHTTNPSR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1109546-A1 | OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION | Merck & Co., Inc. (US) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000004898-A1 | OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION | MERCK & CO., INC. (US) | 2000-02-03 | — | — | WO | disclosed |