Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | PRKCI | P41743 | 1/20 | 0.50 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8622121 | 0.94 | ALDH1A1 (0.51) | ALDH1A1PRKCIPRKCZTP53HSD17B10 | |
| SCHEMBL8625505 | 0.92 | PRKCI (0.47) | ALDH1A1PRKCIPRKCZTP53HSD17B10 | |
| SCHEMBL8623769 | 0.91 | EDNRA (0.49) | ALDH1A1PRKCIPRKCZ | |
| SCHEMBL8621789 | 0.90 | ABCB1 (0.46) | ALDH1A1PRKCIPRKCZMGAMAMY1A | |
| SCHEMBL8620561 | 0.87 | PRKCI (0.48) | ALDH1A1PRKCIPRKCZTP53HSD17B10 | |
| SCHEMBL7534280 | 0.84 | PTGS2 (0.47) | — | |
| SCHEMBL9204054 | 0.81 | EDNRB (0.44) | ALDH1A1HSD17B10SMN1; SMN2MEN1USP2 | |
| SCHEMBL8678051 | 0.80 | EDNRA (0.52) | ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL7533335 | 0.78 | MEN1 (0.47) | MEN1KMT2A | |
| SCHEMBL7531484 | 0.78 | EDNRA (0.56) | — |
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-6271399-B1 | METHYL 3-(3,4-METHYLENEDIOXYPHENYL)-6-(PROP-1-YLOXY)-INDANE-2-CARBOXYLATE DERIVATIVES | SMITHKLINE BEECHAM CORPORATION | 2001-08-07 | — | — | US | disclosed |
| US-5817693-A | Endothelin receptor antagonists | SMITHKLINE BEECHAM CORPORATION | 1998-10-06 | — | — | US | disclosed |
| US-5719182-A | TREATING HYPERTENSION, RENAL FAILURE, CEREBROVASCULAR DISEASE | SMITHKLINE BEECHAM CORPORATION (US) | 1998-02-17 | — | — | US | disclosed |