Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL3960842 | 0.80 | GAA (0.43) | TSHRALDH1A1NPSR1GAACYP2C19 | |
| SCHEMBL21163690 | 0.79 | ATM (0.42) | TSHRALDH1A1NPSR1GAASMN1; SMN2 | |
| SCHEMBL872298 | 0.79 | ATM (0.42) | TSHRALDH1A1NPSR1GAASMN1; SMN2 | |
| SCHEMBL28635370 | 0.78 | ALOX12 (0.50) | ALDH1A1GAAMEN1MAPTHPGD | |
| SCHEMBL28635369 | 0.78 | ALOX12 (0.50) | ALDH1A1GAAMEN1MAPTHPGD | |
| SCHEMBL871584 | 0.76 | TSHR (0.49) | TSHRALDH1A1NPSR1GAACYP2C19 | |
| SCHEMBL12972177 | 0.76 | LOXL2 (0.40) | TSHRALDH1A1CYP2C19SMN1; SMN2NPC1 | |
| Water SCHEMBL27861974 | 0.75 | TSHR (0.47) | TSHRALDH1A1NPSR1GAACYP2C19 | |
| SCHEMBL3942966 | 0.73 | IDO1 (0.46) | TSHRALDH1A1NPSR1GAACYP2C19 | |
| SCHEMBL134570 | 0.73 | IDO1 (0.46) | TSHRALDH1A1NPSR1GAACYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016201052-A1 | BRIDGED BICYCLIC KALLIKREIN INHIBITORS | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2016-12-15 | — | — | WO | disclosed |
| EP-0669317-B1 | Prolineamide derivatives | MITSUBISHI CHEM CORP (JP) | 2002-09-04 | — | — | EP | disclosed |
| US-5744487-A | PROTEASE INHIBITORS | MITSUBISHI CHEMICAL CORPORATION (JP) | 1998-04-28 | — | — | US | disclosed |
| EP-0669317-A1 | Prolineamide derivatives | Mitsubishi Chemical Corporation (JP) | 1995-08-30 | — | — | EP | disclosed |