Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4047496 | 0.81 | SMN1; SMN2 (0.55) | ALDH1A1AKR1C3AKR1C1KMT2AMEN1 | |
| SCHEMBL14463078 | 0.77 | SMN1; SMN2 (0.59) | ALDH1A1AKR1C3AKR1C1KMT2AMEN1 | |
| SCHEMBL4986450 | 0.77 | SMN1; SMN2 (0.50) | ALDH1A1TP53HIF1AAKR1C3AKR1C1 | |
| SCHEMBL4048000 | 0.75 | ALDH1A1 (0.53) | ALDH1A1AKR1C3AKR1C1KMT2AMEN1 | |
| SCHEMBL104524 | 0.75 | SMN1; SMN2 (0.61) | ALDH1A1AKR1C3AKR1C1KMT2AMEN1 | |
| SCHEMBL11112670 | 0.75 | SMN1; SMN2 (0.61) | ALDH1A1AKR1C3AKR1C1KMT2AMEN1 | |
| SCHEMBL27254651 | 0.73 | SMN1; SMN2 (0.64) | ALDH1A1AKR1C3AKR1C1KMT2AMEN1 | |
| SCHEMBL9893031 | 0.73 | TSHR (0.73) | ALDH1A1TP53KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL2700912 | 0.73 | SMN1; SMN2 (0.53) | ALDH1A1AKR1C3AKR1C1KMT2AMEN1 | |
| SCHEMBL28638974 | 0.72 | ALDH1A1 (0.60) | ALDH1A1TP53HIF1AKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5830875-A | PARASITICIDES | MERCK & CO., INC. (US) | 1998-11-03 | — | — | US | disclosed |
| US-5208222-A | Anthelemetic | MERCK & CO., INC. (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0506331-A1 | 4\"-and 4'-alkylthio-avermectin derivatives | MERCK & CO. INC. (US) | 1992-09-30 | — | — | EP | disclosed |
| EP-0428286-A2 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO. INC. (US) | 1991-05-22 | — | — | EP | disclosed |