Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 5/20 | 0.71 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.71 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.71 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.53 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.53 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.50 |
| ▸ | PTGIR | P43119 | 1/20 | 0.50 |
| ▸ | AR | P10275 | 2/20 | 0.49 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Delmetacin SCHEMBL286727 | 0.86 | ABCB1 (0.82) | ABCB1PTGS1PTGS2LMNACYP1A2 | |
| SCHEMBL13802409 | 0.85 | ABCB1 (0.81) | ABCB1PTGS1PTGS2LMNACYP1A2 | |
| SCHEMBL6206650 | 0.84 | ABCB1 (0.79) | ABCB1PTGS1PTGS2LMNACYP1A2 | |
| SCHEMBL6206463 | 0.83 | ABCB1 (0.77) | ABCB1PTGS1PTGS2LMNACYP1A2 | |
| SCHEMBL2237296 | 0.83 | ABCB1 (1.00) | ABCB1PTGS1PTGS2LMNACYP1A2 | |
| SCHEMBL11462798 | 0.83 | AKR1C3 (0.80) | ABCB1PTGS1PTGS2LMNACYP1A2 | |
| SCHEMBL13802380 | 0.81 | AKR1C3 (0.78) | ABCB1PTGS1PTGS2LMNACYP1A2 | |
| SCHEMBL13802387 | 0.80 | ABCB1 (0.72) | ABCB1PTGS1PTGS2LMNACYP1A2 | |
| SCHEMBL4209246 | 0.80 | ABCB1 (0.72) | ABCB1PTGS1PTGS2LMNACYP1A2 | |
| SCHEMBL6205037 | 0.79 | ABCB1 (0.71) | ABCB1PTGS1PTGS2LMNACYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1600440-A1 | INDOLE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-11-30 | — | — | EP | disclosed |