Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20133582 | 0.81 | TSHR (0.42) | TSHRHDAC6ALDH1A1KDM4EHTT | |
| SCHEMBL1344312 | 0.81 | ALDH1A1 (0.41) | TSHRHDAC6ALDH1A1KDM4EHTT | |
| SCHEMBL8746679 | 0.78 | TSHR (0.42) | TSHRHDAC6ALDH1A1KDM4EHTT | |
| SCHEMBL2560142 | 0.76 | TSHR (0.45) | TSHRHDAC6ALDH1A1KDM4EHTT | |
| SCHEMBL20157017 | 0.75 | TSHR (0.40) | TSHRHDAC6ALDH1A1HTTHPGD | |
| SCHEMBL8773387 | 0.75 | HDAC6 (0.41) | TSHRHDAC6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL8746684 | 0.75 | HDAC6 (0.41) | TSHRHDAC6ALDH1A1HPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL7464995 | 0.74 | KDM4E (0.40) | ALDH1A1KDM4EHPGDHSD17B10GAA | |
| SCHEMBL29827525 | 0.72 | TSHR (0.48) | TSHRALDH1A1KDM4EHTTHPGD | |
| SCHEMBL2565156 | 0.72 | SLC6A2 (0.43) | TSHRHDAC6ALDH1A1KDM4EHTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0496222-B1 | Indole derivatives | MERCK PATENT GMBH (DE) | 1998-09-09 | — | — | EP | disclosed |
| US-5418237-A | Indole derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-05-23 | — | — | US | disclosed |
| EP-0496222-A1 | Indole derivatives | MERCK PATENT GmbH (DE) | 1992-07-29 | — | — | EP | disclosed |