Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA4 | P22748 | 3/20 | 0.42 |
| ▸ | CA6 | P23280 | 3/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10804131 | 0.81 | IMPDH2 (0.42) | PTGS2ACHECYP3A4MAPTCA9 | |
| SCHEMBL18480665 | 0.81 | CA1 (0.50) | PTGS2TAAR1CA1CA2CA4 | |
| SCHEMBL18480805 | 0.81 | PTGS2 (0.50) | PTGS2TAAR1ACHECYP3A4MAPT | |
| SCHEMBL28312125 | 0.80 | PDE4A (0.52) | PTGS2ACHECYP3A4MAPTCA9 | |
| SCHEMBL16289835 | 0.80 | CA1 (0.44) | PTGS2ACHECYP3A4MAPTCA9 | |
| SCHEMBL28273725 | 0.80 | PTGS2 (0.43) | PTGS2ACHECYP3A4MAPTCA9 | |
| SCHEMBL10044958 | 0.78 | CYP1A2 (0.65) | PTGS2TAAR1ACHECYP3A4TUBB1 | |
| SCHEMBL11808824 | 0.78 | PTGS2 (0.52) | PTGS2TAAR1ACHECYP3A4MAPT | |
| SCHEMBL13067787 | 0.78 | ACHE (0.64) | PTGS2TAAR1ACHECYP3A4MAPT | |
| SCHEMBL7048608 | 0.78 | PTGS2 (0.47) | PTGS2TAAR1ACHECYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| JP-5148176-A | — | — | None | — | — | JP | disclosed |
| JP-H05148176-A | METHOD FOR FORMYLATING 5-SUBSTITUTED BENZENE | EISAI CO LTD | 1993-06-15 | — | — | JP | disclosed |