Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | BLM | P54132 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.58 |
| ▸ | S1PR2 | O95136 | 7/20 | 0.53 |
| ▸ | S1PR4 | O95977 | 7/20 | 0.53 |
| ▸ | S1PR1 | P21453 | 7/20 | 0.53 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.53 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA6 | P23280 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA3 | P07451 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Trientine SCHEMBL5577006 | 1.00 | LMNA (0.58) | LMNABLMCYP3A4NFKB1PMP22 | |
| Trientine SCHEMBL3279066 | 0.98 | LMNA (0.56) | LMNABLMCYP3A4NFKB1PMP22 | |
| SCHEMBL124979 | 0.98 | LMNA (0.61) | LMNABLMCYP3A4NFKB1PMP22 | |
| SCHEMBL23631723 | 0.96 | S1PR2 (0.60) | LMNABLMCYP3A4NFKB1PMP22 | |
| Ammonia Solution, Strong SCHEMBL3281975 | 0.95 | LMNA (0.58) | LMNABLMCYP3A4NFKB1PMP22 | |
| SCHEMBL5902933 | 0.95 | LMNA (0.64) | LMNABLMCYP3A4NFKB1PMP22 | |
| SCHEMBL4652381 | 0.93 | S1PR2 (0.62) | LMNABLMCYP3A4NFKB1PMP22 | |
| SCHEMBL3447091 | 0.91 | BLM (0.60) | LMNABLMCYP3A4NFKB1PMP22 | |
| Trientine SCHEMBL241126 | 0.91 | LMNA (0.56) | LMNABLMCYP3A4NFKB1PMP22 | |
| SCHEMBL6247544 | 0.91 | LMNA (0.64) | LMNABLMCYP3A4NFKB1PMP22 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5541176-A | ANTIBIOTICS, USEFUL AGAINST METHICILLIN RESISTANT STAPHYLOCOCCUS | MERCK & CO., INC. (US) | 1996-07-30 | — | — | US | disclosed |
| US-5498777-A | 3-thioheteroaryl cephalosporin compounds, compositions and methods of use | MERCK & CO., INC. (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1996002548-A1 | 3-THIOHETEROARYL CEPHALOSPORIN COMPOUNDS, COMPOSITIONS AND METHODS OF USE | MERCK & CO., INC. (US) | 1996-02-01 | — | — | WO | disclosed |
| US-3971734-A | Sulfite compositions, aqueous sulfite solutions and method of decreasing their rate of oxidation | NL INDUSTRIES, INC. (US) | 1976-07-27 | — | — | US | disclosed |