Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.47 |
| ▸ | TNKS2 | Q9H2K2 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AVPR1A | P37288 | 4/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11538651 | 0.83 | GRM2 (0.37) | HCAR1AVPR1AALDH1A1ALOX15HTT | |
| SCHEMBL21045356 | 0.77 | HTT (0.51) | AVPR1AALDH1A1ALOX15HTTHSD17B10 | |
| SCHEMBL11920145 | 0.77 | SMN1; SMN2 (0.53) | NPSR1HTT | |
| SCHEMBL12892262 | 0.74 | AVPR1A (0.45) | AVPR1AALDH1A1ALOX15HTTHSD17B10 | |
| SCHEMBL5098675 | 0.74 | HSD11B1 (0.41) | HCAR1TNKS2NPSR1AVPR1ATNKS | |
| SCHEMBL11538155 | 0.73 | TNKS (0.42) | HCAR1TNKS2TNKSALDH1A1NOTUM | |
| SCHEMBL14112938 | 0.71 | HSD11B1 (0.51) | ALDH1A1ALOX15HSD17B10 | |
| SCHEMBL2640557 | 0.71 | TNKS (0.48) | TNKS2NPSR1TNKSALDH1A1ALOX15 | |
| SCHEMBL15790773 | 0.70 | KCNN4 (0.47) | HCAR1ALDH1A1NOTUM | |
| SCHEMBL5334498 | 0.70 | ALDH1A1 (0.45) | NPSR1AVPR1AALDH1A1ALOX15HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4134914-A | 1-Acyl-4-substituted phenyl thiosemicarbazides | ELI LILLY AND COMPANY (US) | 1979-01-16 | — | — | US | disclosed |
| US-4082762-A | 4-(2-HALOPHENYL)-1,2,4-TRIAZOLE-3-THIOL COMPOUNDS | ELI LILLY AND COMPANY (US) | 1978-04-04 | — | — | US | disclosed |
| US-3937713-A | Process for the preparation of s-triazolo[3,4-b]benzothiazoles | ELI LILLY AND COMPANY (US) | 1976-02-10 | — | — | US | disclosed |