Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP4Z1 | Q86W10 | 2/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.34 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.34 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8585835 | 0.82 | PTGS2 (0.53) | CYP2D6CYP2C9PTGS2ALDH1A1KDM4E | |
| SCHEMBL8595189 | 0.82 | PTGS2 (0.37) | CYP2D6CYP2C9PTGS2ALDH1A1KDM4E | |
| SCHEMBL14925518 | 0.81 | PTGS2 (0.50) | PTGS2ALDH1A1KDM4EKMT2ANOS3 | |
| SCHEMBL4361000 | 0.81 | PTGS2 (0.50) | PTGS2ALDH1A1KDM4EKMT2ANOS3 | |
| SCHEMBL4361001 | 0.81 | PTGS2 (0.50) | PTGS2ALDH1A1KDM4EKMT2ANOS3 | |
| SCHEMBL6199068 | 0.80 | S100B (0.46) | PTGS2ALDH1A1KMT2ANOS3NOS1 | |
| SCHEMBL6199076 | 0.80 | S100B (0.46) | PTGS2ALDH1A1KMT2ANOS3NOS1 | |
| SCHEMBL11594058 | 0.80 | KMT2A (0.57) | CYP2C9ALDH1A1KMT2ATDP1MEN1 | |
| SCHEMBL11548141 | 0.79 | CA1 (0.41) | PTGS2LMNACA2SLC22A2SLC22A1 | |
| SCHEMBL11548138 | 0.79 | CA1 (0.41) | PTGS2LMNACA2SLC22A2SLC22A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4152349-A | IMPROVED REACTIVITY, STORAGE STABILITY | THE UPJOHN COMPANY (US) | 1979-05-01 | — | — | US | disclosed |
| US-4152348-A | INHIBITION OF COLOR FORMATION ON STORAGE | THE UPJOHN COMPANY (US) | 1979-05-01 | — | — | US | disclosed |