Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | IGF1R | P08069 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5445840 | 0.82 | CA2 (0.57) | TSHRHSD17B10CYP3A4CYP4F2CYP4A11 | |
| SCHEMBL2982854 | 0.79 | TTR (0.53) | TSHRHSD17B10ALDH1A1CYP3A4TDP1 | |
| SCHEMBL10128 | 0.78 | IDO1 (0.58) | CYP4F2CYP4A11IGF1RALOX15 | |
| SCHEMBL29413271 | 0.78 | IDO1 (0.58) | CYP4F2CYP4A11IGF1RALOX15 | |
| SCHEMBL232822 | 0.77 | TRPA1 (0.64) | TSHRHSD17B10ALDH1A1CYP3A4TDP1 | |
| SCHEMBL8224395 | 0.77 | TSHR (0.50) | TSHRHSD17B10ALDH1A1CYP3A4TDP1 | |
| SCHEMBL13343744 | 0.77 | TDP1 (0.50) | TSHRHSD17B10ALDH1A1CYP3A4TDP1 | |
| SCHEMBL1964765 | 0.76 | IDO1 (0.56) | TSHRHSD17B10CYP4F2CYP4A11IGF1R | |
| SCHEMBL4873741 | 0.76 | MAPT (0.46) | TSHRALDH1A1CYP3A4CYP4F2CYP4A11 | |
| SCHEMBL25218464 | 0.76 | ALDH1A1 (0.65) | TSHRHSD17B10ALDH1A1CYP3A4TDP1 |
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-4073942-A | Halo-substituted hydroxybenzyl-amines as secretolytic agents | BOEHRINGER INGELHEIM GMBH (DT) | 1978-02-14 | — | — | US | disclosed |