Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CDC42 | P60953 | 1/20 | 0.40 |
| ▸ | RAC1 | P63000 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11331539 | 0.97 | PTGS2 (0.46) | PTGS2TDP1L3MBTL1PTGS1AKR1C3 | |
| Methane SCHEMBL11325303 | 0.84 | MEN1 (0.40) | TSHRCYP1A2LMNAMAPT | |
| Methane SCHEMBL11292355 | 0.81 | MEN1 (0.39) | TSHRLMNAMAPTCA12CA9 | |
| SCHEMBL11269384 | 0.81 | PTGS2 (0.46) | PTGS2PTGS1TSHRSLC22A6LMNA | |
| Methane SCHEMBL11331534 | 0.80 | KMT2A (0.41) | L3MBTL1TSHRCYP1A2LMNAMAPT | |
| SCHEMBL11271773 | 0.80 | PTGS2 (0.46) | PTGS2PTGS1TSHRSLC22A6LMNA | |
| SCHEMBL11274442 | 0.78 | PTGS2 (0.50) | PTGS2PTGS1TSHRSLC22A6LMNA | |
| SCHEMBL11179880 | 0.76 | ESR1 (0.47) | TSHRCYP1A2LMNAMAPTCYP2C9 | |
| SCHEMBL11167853 | 0.75 | ESR1 (0.46) | TSHRCYP1A2LMNACYP2C9 | |
| SCHEMBL11179043 | 0.75 | ESR1 (0.46) | AKR1C3AKR1C2TSHRCYP1A2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4362738-A | ANTIINFLAMMATORIES | DR. KARL THOMAE GMBH (DE) | 1982-12-07 | — | — | US | disclosed |