Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | HTR7 | P34969 | 1/20 | 0.51 |
| ▸ | HTR6 | P50406 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11150353 | 0.96 | TSHR (0.55) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR | |
| SCHEMBL7313395 | 0.94 | TSHR (0.57) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR | |
| SCHEMBL7320325 | 0.94 | TSHR (0.57) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR | |
| SCHEMBL19969303 | 0.86 | LMNA (0.51) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR | |
| SCHEMBL19969377 | 0.81 | ADORA2B (0.50) | ALDH1A1ADORA2BRXFP1TSHRKMT2A | |
| SCHEMBL19969385 | 0.80 | HTR7 (0.50) | ALDH1A1ADORA2BRXFP1TSHRKMT2A | |
| SCHEMBL19969383 | 0.80 | HTR7 (0.50) | ALDH1A1ADORA2BRXFP1TSHRKMT2A | |
| SCHEMBL7316541 | 0.80 | ALDH1A1 (0.59) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR | |
| SCHEMBL7313390 | 0.76 | HTR1A (0.65) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR | |
| SCHEMBL7320319 | 0.76 | HTR7 (0.68) | ALDH1A1ADORA2BRXFP1SMN1; SMN2TSHR |
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 |