Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27633073 | 0.76 | LTA4H (0.46) | LMNARAB9ASMN1; SMN2TSHR | |
| SCHEMBL27653530 | 0.71 | HTR1B (0.55) | — | |
| SCHEMBL3162663 | 0.70 | CYP1A2 (0.62) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL890459 | 0.69 | CYP1A2 (0.57) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL27653546 | 0.69 | CYP2D6 (0.51) | CYP1A2SLC6A2SLC6A3CYP2A6 | |
| SCHEMBL24630875 | 0.69 | MAOA (0.44) | CYP1A2MAOANISCHCASP1HSD17B10 | |
| SCHEMBL3716715 | 0.69 | TAAR1 (0.68) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL8155849 | 0.69 | CYP1A2 (0.60) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL2663510 | 0.69 | CYP1A2 (0.65) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL8154939 | 0.69 | CYP1A2 (0.60) | CYP1A2KDM4ENPC1LMNATP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0054812-A1 | Derivatives of antiphlogistically active carboxylic acids, their preparation and medical application | SCHERING AKTIENGESELLSCHAFT (DE) | 1982-06-30 | — | — | EP | disclosed |