Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12092162 | 0.84 | NPSR1 (0.42) | NPSR1TSHRALDH1A1KDM4ETDP1 | |
| SCHEMBL931672 | 0.83 | NPSR1 (0.41) | NPSR1TSHRALDH1A1KDM4ENPC1 | |
| SCHEMBL9044164 | 0.81 | NPSR1 (0.42) | NPSR1TSHRALDH1A1NPC1RAB9A | |
| SCHEMBL6526014 | 0.81 | NPSR1 (0.42) | NPSR1TSHRALDH1A1TDP1GAA | |
| SCHEMBL14313827 | 0.81 | KDM4E (0.47) | NPSR1TSHRALDH1A1KDM4ERAB9A | |
| Hydrochloric Acid SCHEMBL25357568 | 0.79 | NPSR1 (0.41) | NPSR1TSHRALDH1A1TDP1GAA | |
| Hydrochloric Acid SCHEMBL12080073 | 0.79 | NPSR1 (0.41) | NPSR1TSHRALDH1A1TDP1GAA | |
| Hydrochloric Acid SCHEMBL31688697 | 0.76 | NPSR1 (0.38) | NPSR1TSHRALDH1A1KDM4ENPC1 | |
| SCHEMBL31217905 | 0.76 | CHRM2 (0.46) | ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL31217976 | 0.76 | CHRM2 (0.46) | ALDH1A1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4761415-A | HYPOTENSIVE | SMITHKLINE BECKMAN CORPORATION (US) | 1988-08-02 | — | — | US | disclosed |
| EP-0261804-A1 | Dopamine-beta-hydroxylase inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 1988-03-30 | — | — | EP | disclosed |