Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.62 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21192734 | 1.00 | AKR1C3 (0.62) | AKR1C3TBXAS1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL22042864 | 0.95 | AKR1C3 (0.56) | AKR1C3TBXAS1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL23512754 | 0.95 | AKR1C3 (0.56) | AKR1C3TBXAS1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL12961218 | 0.86 | KMT2A (0.51) | AKR1C3TBXAS1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL7764222 | 0.86 | TBXAS1 (0.68) | AKR1C3TBXAS1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL7764218 | 0.86 | TBXAS1 (0.68) | AKR1C3TBXAS1KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL2462984 | 0.85 | AKR1C3 (0.82) | AKR1C3TBXAS1ALDH1A1KDM4EHTT | |
| SCHEMBL2462983 | 0.85 | AKR1C3 (0.82) | AKR1C3TBXAS1ALDH1A1KDM4EHTT | |
| SCHEMBL1410816 | 0.85 | AKR1C3 (0.62) | AKR1C3TBXAS1SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL1410819 | 0.85 | AKR1C3 (0.62) | AKR1C3TBXAS1SMN1; SMN2ALDH1A1NPC1 |
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-1727797-B1 | PROCESS FOR CROSS COUPLING INDOLES | BOEHRINGER INGELHEIM PHARMA (US) | 2012-05-30 | — | — | EP | disclosed |
| EP-1414797-B9 | HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE | BOEHRINGER INGELHEIM CA LTD (CA) | 2009-04-15 | — | — | EP | disclosed |
| EP-1414797-B1 | HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE | BOEHRINGER INGELHEIM CA LTD (CA) | 2008-01-02 | — | — | EP | disclosed |