Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA6 | P23280 | 3/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | FYN | P06241 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7288961 | 0.68 | ALDH1A1 (0.35) | IMPDH2IMPDH1ALDH1A1LMNAHPGD | |
| SCHEMBL6953767 | 0.65 | IMPDH2 (0.35) | IMPDH2IMPDH1CA2ALDH1A1CA1 | |
| SCHEMBL721649 | 0.65 | HTR2C (0.37) | IMPDH2IMPDH1CA2ALDH1A1CA1 | |
| SCHEMBL3886120 | 0.64 | IMPDH2 (0.71) | IMPDH2IMPDH1CA2ALDH1A1CA1 | |
| Catechol SCHEMBL30083987 | 0.57 | ALDH1A1 (0.91) | CA2ALDH1A1CA1CA6EGFR | |
| SCHEMBL151982 | 0.56 | IMPDH2 (1.00) | IMPDH2IMPDH1CA2ALDH1A1CA1 | |
| SCHEMBL25415892 | 0.56 | IMPDH2 (0.43) | IMPDH2IMPDH1ALDH1A1LMNAHPGD | |
| SCHEMBL7306041 | 0.56 | — | — | |
| SCHEMBL1193683 | 0.55 | CYP1A2 (0.41) | CA2ALDH1A1CA1CA6EGFR | |
| Pyrogallol SCHEMBL170157 | 0.54 | ALDH1A1 (1.00) | CA2ALDH1A1CA1CA6EGFR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4870087-A | Indole containing, 2-thienyl-1,2,3,6-tetrahydropyridyls and their pharmaceutical use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-09-26 | — | — | US | claimed |
| US-4617309-A | Sulfur-containing indole derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-10-14 | — | — | US | claimed |
| US-4870087-A | Indole containing, 2-thienyl-1,2,3,6-tetrahydropyridyls and their pharmaceutical use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1989-09-26 | — | — | US | disclosed |
| EP-0121716-B1 | INDOLE DERIVATIVES | MERCK PATENT GmbH (DE) | 1987-12-09 | — | — | EP | disclosed |
| US-4617309-A | Sulfur-containing indole derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-10-14 | — | — | US | disclosed |
| EP-0105397-B1 | SULPHURIC INDOLE DERIVATIVES | MERCK PATENT GmbH (DE) | 1986-07-16 | — | — | EP | disclosed |
| EP-0121716-A1 | Indole derivatives | MERCK PATENT GmbH (DE) | 1984-10-17 | — | — | EP | disclosed |
| EP-0114603-A1 | Indole derivatives | MERCK PATENT GmbH (DE) | 1984-08-01 | — | — | EP | disclosed |
| EP-0105397-A1 | Sulphuric indole derivatives | MERCK PATENT GmbH (DE) | 1984-04-18 | — | — | EP | disclosed |