Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.62 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 7/20 | 0.53 |
| ▸ | NPC1 | O15118 | 6/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9186732 | 0.86 | AKR1C3 (0.58) | AKR1C3AKR1C2NPSR1ALDH1A1MAPT | |
| SCHEMBL5455532 | 0.86 | NPSR1 (0.67) | AKR1C3AKR1C2NPSR1ALDH1A1MAPT | |
| SCHEMBL4113285 | 0.83 | NPC1 (0.74) | ALDH1A1MAPTHPGDHSD17B10RAB9A | |
| SCHEMBL10523964 | 0.83 | NPSR1 (0.86) | NPSR1ALDH1A1MAPTHPGDHSD17B10 | |
| SCHEMBL30145137 | 0.83 | NPSR1 (0.86) | NPSR1ALDH1A1MAPTHPGDHSD17B10 | |
| SCHEMBL1922070 | 0.83 | NPSR1 (0.86) | NPSR1ALDH1A1MAPTHPGDHSD17B10 | |
| SCHEMBL9071956 | 0.82 | AKR1C3 (0.69) | AKR1C3AKR1C2NPSR1ALDH1A1MAPT | |
| SCHEMBL5460527 | 0.81 | AKR1C3 (0.67) | AKR1C3AKR1C2ALDH1A1MAPTHPGD | |
| SCHEMBL5608717 | 0.81 | MAPT (0.61) | AKR1C3AKR1C2ALDH1A1MAPTHPGD | |
| SCHEMBL9478869 | 0.81 | MAPT (0.71) | AKR1C3AKR1C2ALDH1A1MAPTHPGD |
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-1354887-B1 | Ligands for metals and improved metal-catalyzed processes based thereon | MASSACHUSETTS INST TECHNOLOGY (US) | 2007-04-25 | — | — | EP | disclosed |
| EP-1097158-B1 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INST TECHNOLOGY (US) | 2006-01-25 | — | — | EP | disclosed |
| EP-1354887-A1 | Ligands for metals and improved metal-catalyzed processes based thereon | Massachusetts Insitute of Technology (US) | 2003-10-22 | — | — | EP | disclosed |
| EP-1097158-A2 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000002887-A2 | LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2000-01-20 | — | — | WO | disclosed |