Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | HMGCR | P04035 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trepibutone SCHEMBL25039 | 0.86 | TSHR (0.61) | TSHRCYP3A4HSD17B10ALDH1A1HPGD | |
| Trepibutone SCHEMBL29441541 | 0.86 | TSHR (0.61) | TSHRCYP3A4HSD17B10ALDH1A1HPGD | |
| SCHEMBL11684821 | 0.81 | TSHR (0.65) | TSHRCYP3A4HSD17B10TDP1ALDH1A1 | |
| SCHEMBL27997509 | 0.79 | HMGCR (0.57) | TSHRCYP3A4HSD17B10HMGCRTDP1 | |
| SCHEMBL10498013 | 0.79 | TSHR (1.00) | TSHRCYP3A4HSD17B10TDP1KDM4E | |
| SCHEMBL11683269 | 0.78 | TSHR (0.51) | TSHRCYP3A4HSD17B10HMGCRALDH1A1 | |
| SCHEMBL24651298 | 0.78 | TSHR (0.51) | TSHRCYP3A4HSD17B10HMGCRTDP1 | |
| SCHEMBL7012914 | 0.77 | TSHR (0.59) | TSHRHSD17B10ALDH1A1HPGDNPC1 | |
| SCHEMBL28779453 | 0.76 | HCRTR1 (0.58) | TSHRHSD17B10ALDH1A1HPGDKDM4E | |
| SCHEMBL9004517 | 0.76 | THRB (0.48) | CYP3A4LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022250569-A1 | NOVEL COMPOUND FOR TREATING BILIARY TRACT DISORDERS | ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ВАЛЕНТА-ИНТЕЛЛЕКТ" | 2022-12-01 | — | — | WO | disclosed |