Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | PRKDC | P78527 | 1/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | ATR | Q13535 | 1/20 | 0.57 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.57 |
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL8307758 | 0.92 | PRKDC (0.55) | CA12CA1CA2CA9PRKDC | |
| SCHEMBL8521718 | 0.88 | KDM4E (0.58) | CA12CA1CA2CA9PRKDC | |
| SCHEMBL8305443 | 0.88 | CA12 (0.72) | CA12CA1CA2CA9PRKDC | |
| SCHEMBL8306288 | 0.85 | PRKDC (0.55) | CA12CA1CA2CA9PRKDC | |
| SCHEMBL30292823 | 0.81 | PTGS2 (0.60) | CA12CA1CA2CA9PRKDC | |
| SCHEMBL10997079 | 0.80 | RAB9A (0.71) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL5051826 | 0.78 | KDR (0.68) | CA12CA1CA2CA9KDM4E | |
| Methane SCHEMBL28704887 | 0.76 | KDR (0.66) | CA12CA1CA2CA9KDM4E | |
| Benzene SCHEMBL27629233 | 0.76 | RAB9A (0.69) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL8487656 | 0.75 | PTGS2 (0.75) | CA1CA2CA9ATMPTGS2 |
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-0915848-A1 | 1,2-DIARYLINDOLE AS COX-2 INHIBITORS | LABORATOIRES UPSA (FR) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998005639-A1 | 1,2-DIARYLINDOLE AS COX-2 INHIBITORS | LABORATOIRES UPSA (FR) | 1998-02-12 | — | — | WO | disclosed |