Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9132813 | 0.99 | PARP1 (0.58) | PARP1MAPK1CYP3A4ALOX15TSHR | |
| Bromide SCHEMBL8904455 | 0.88 | KDM4E (0.56) | PARP1MAPK1CYP3A4ALOX15TSHR | |
| Bromide SCHEMBL8905619 | 0.84 | PARP1 (0.60) | PARP1MAPK1CYP3A4ALOX15TSHR | |
| Bromide SCHEMBL8904521 | 0.82 | PARP1 (0.54) | PARP1MAPK1CYP3A4ALOX15TSHR | |
| SCHEMBL14494799 | 0.81 | PARP1 (0.68) | PARP1MAPK1CYP3A4ALOX15TSHR | |
| SCHEMBL11102977 | 0.81 | PARP1 (0.68) | PARP1MAPK1CYP3A4ALOX15TSHR | |
| SCHEMBL22461447 | 0.80 | CYP3A4 (0.66) | CYP3A4NFKB1THPOHSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL11799053 | 0.80 | SLC6A4 (0.61) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9667782 | 0.79 | PARP1 (0.72) | PARP1MAPK1CYP3A4ALOX15TSHR | |
| SCHEMBL8905773 | 0.78 | SLC6A2 (0.46) | CYP3A4KDM4EALDH1A1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5623074-A | DERIVATIVES OF 7-DIHYDROXYPHENYL-4,5,6,7-TETRAHYDROTHIAZOLO (4,5-C)PYRIDINE WHICH ACT ON DOPAMINE RECEPTORS; NEPHROVASCULAR DILATORS, DIURETICS, SIDE EFFECT REDUCTION | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1997-04-22 | — | — | US | disclosed |