Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 6/20 | 0.72 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.72 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11576174 | 0.84 | GAA (1.00) | GAANPSR1CA5AALDH1A1TSHR | |
| SCHEMBL153055 | 0.79 | GAA (0.74) | GAANPSR1CA5AALDH1A1TSHR | |
| SCHEMBL30049382 | 0.79 | GAA (0.74) | GAANPSR1CA5AALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL2530820 | 0.77 | GAA (0.72) | GAANPSR1CA5AALDH1A1TSHR | |
| SCHEMBL27952523 | 0.77 | GAA (0.72) | GAANPSR1CA5AALDH1A1TSHR | |
| SCHEMBL25143507 | 0.76 | MTNR1A (0.68) | GAANPSR1CA5AALDH1A1TSHR | |
| SCHEMBL30148026 | 0.76 | MTNR1A (0.68) | GAANPSR1CA5AALDH1A1TSHR | |
| SCHEMBL7825089 | 0.74 | GAA (0.76) | GAANPSR1CA5AALDH1A1TSHR | |
| SCHEMBL2339398 | 0.74 | GAA (0.63) | GAANPSR1ALDH1A1TSHRNFKB1 | |
| SCHEMBL21328347 | 0.73 | CA5A (0.66) | GAANPSR1CA5AALDH1A1TSHR |
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-4075344-A | 3-ALKOXYISOQUINOLINES FOR HYPOTENSIVE AND VASODILATING EFFECTS | MEAD JOHNSON & COMPANY (US) | 1978-02-21 | — | — | US | disclosed |
| US-4015006-A | 3(2H)-Isoquinolones therapeutic process | MEAD JOHNSON & COMPANY (US) | 1977-03-29 | — | — | US | disclosed |