Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | HTR7 | P34969 | 1/20 | 0.59 |
| ▸ | HTR6 | P50406 | 1/20 | 0.59 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.57 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.57 |
| ▸ | DRD2 | P14416 | 2/20 | 0.57 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.57 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL7320319 | 0.94 | HTR7 (0.68) | ALDH1A1HTR7HTR6ADORA2BSMN1; SMN2 | |
| SCHEMBL7313390 | 0.94 | HTR1A (0.65) | ALDH1A1HTR7HTR6ADORA2BSMN1; SMN2 | |
| SCHEMBL683615 | 0.91 | ADORA2B (0.57) | ALDH1A1HTR7HTR6ADORA2BSMN1; SMN2 | |
| SCHEMBL7306929 | 0.82 | HTR7 (0.59) | HTR7HTR6ADORA2BSMN1; SMN2RXFP1 | |
| SCHEMBL4461767 | 0.82 | ADORA2B (0.73) | ALDH1A1HTR7HTR6ADORA2BSMN1; SMN2 | |
| SCHEMBL1810048 | 0.82 | HTR7 (0.84) | ALDH1A1HTR7HTR6ADORA2BSMN1; SMN2 | |
| SCHEMBL9620744 | 0.81 | HTR1A (0.59) | ALDH1A1HTR7HTR6ADORA2BSMN1; SMN2 | |
| Tameridone SCHEMBL2109716 | 0.81 | ADRA1D (0.51) | HTR7HTR6HTR1ACHRM1DRD2 | |
| Tameridone SCHEMBL10869123 | 0.80 | ADRA1D (0.52) | HTR7HTR6HTR1ACHRM1DRD2 | |
| SCHEMBL7316547 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HTR7HTR6ADORA2BSMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4599337-A | Antiphlogistic/antipyretic/analgesic agents containing theobromine or theophylline derivatives as active ingredient | EISAI CO., LTD. (JP) | 1986-07-08 | — | — | US | claimed |
| US-4599337-A | Antiphlogistic/antipyretic/analgesic agents containing theobromine or theophylline derivatives as active ingredient | EISAI CO., LTD. (JP) | 1986-07-08 | — | — | US | disclosed |
| EP-0087810-B1 | ANTIPHLOGISTIC/ANTIPYRETIC/ANALGESIC PHARMACEUTICAL COMPOSITIONS CONTAINING THEOPHYLLINE DERIVATIVES AS ACTIVE INGREDIENT | Eisai Co., Ltd. (JP) | 1986-06-25 | — | — | EP | disclosed |
| US-4564617-A | VASODILATORS, ANALGESICS | EISAI CO., LTD. (JP) | 1986-01-14 | — | — | US | disclosed |
| US-4543254-A | Antiphlogistic/antipyretic/analgesic agents containing theobromine or theophylline derivatives as active ingredient | EISAI CO., LTD. (JP) | 1985-09-24 | — | — | US | disclosed |
| US-4426383-A | VASODILATION, ANALGESICS, CNS STIMULANTS, ANTIHISTAMINES | EISAI CO., LTD. (JP) | 1984-01-17 | — | — | US | disclosed |