Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.64 |
| ▸ | PLA2G2A | P14555 | 9/20 | 0.55 |
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA4 | P22748 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | RGS12 | O14924 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5817145 | 0.81 | PLA2G2A (0.63) | PTGS2PTGS1PLA2G2ACA12CA1 | |
| SCHEMBL5806528 | 0.78 | PTGS2 (1.00) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8645649 | 0.74 | PLA2G2A (0.68) | PTGS2PLA2G2APLA2G1B | |
| SCHEMBL8296281 | 0.74 | PLA2G2A (0.90) | PLA2G2ALMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8358980 | 0.73 | PLA2G2A (0.66) | PTGS2PLA2G2ALMNACYP1A2CYP3A4 | |
| SCHEMBL16818993 | 0.71 | PLA2G2A (0.64) | PTGS2PLA2G2ALMNACYP1A2CYP3A4 | |
| SCHEMBL8300729 | 0.71 | PLA2G2A (1.00) | PLA2G2ALMNACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8291800 | 0.71 | PLA2G2A (0.85) | PLA2G2A | |
| SCHEMBL14446495 | 0.71 | LMNA (0.89) | PTGS2PLA2G2ALMNACYP1A2CYP3A4 | |
| SCHEMBL7961561 | 0.70 | PLA2G2A (1.00) | PLA2G2APLA2G1B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006099416-A1 | 2-METHYL INDOLE CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2006-09-21 | — | — | WO | claimed |