Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL11552705 | 0.84 | ALDH1A1 (0.41) | TSHRALDH1A1ALOX15HSD17B10LMNA | |
| SCHEMBL11210899 | 0.82 | AKR1C3 (0.48) | ALDH1A1HSD17B10NR4A1LMNAMAPT | |
| SCHEMBL4644725 | 0.82 | CYP1A2 (0.41) | TSHRALDH1A1ALOX15HSD17B10HPGD | |
| SCHEMBL2109549 | 0.81 | ALDH1A1 (0.58) | TSHRALDH1A1ALOX15HSD17B10NR4A1 | |
| Hydrochloric Acid SCHEMBL11858933 | 0.80 | TSHR (0.59) | TSHRALDH1A1ALOX15HSD17B10HPGD | |
| SCHEMBL14776191 | 0.78 | G6PD (0.55) | TSHRALDH1A1ALOX15HSD17B10NR4A1 | |
| SCHEMBL11593570 | 0.75 | TSHR (0.36) | TSHRCA2LMNACYP1A2CYP3A4 | |
| SCHEMBL3370907 | 0.74 | CA12 (0.46) | TSHRALDH1A1ALOX15HSD17B10HPGD | |
| SCHEMBL4644936 | 0.73 | ALDH1A1 (0.46) | TSHRALDH1A1ALOX15HSD17B10NR4A1 | |
| SCHEMBL273494 | 0.72 | ALOX15 (0.47) | TSHRALDH1A1ALOX15HSD17B10NR4A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1443042-B1 | HYBRID ONIUM SALT | WAKO PURE CHEM IND LTD (JP) | 2008-08-13 | — | — | EP | disclosed |
| US-7101918-B2 | Hybrid type onium salt | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2006-09-05 | — | — | US | disclosed |
| US-20050020710-A1 | Hybrid onium salt | WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) | 2005-01-27 | — | — | US | disclosed |
| EP-1443042-A1 | HYBRID ONIUM SALT | Wako Pure Chemical Industries, Ltd. (JP) | 2004-08-04 | — | — | EP | disclosed |
| CN-1054068-A | Lithiation of 1, 3-bis (trifluoromethyl) benzene | HOFFMANN LA ROCHE (CH) | 1991-08-28 | — | — | CN | disclosed |