Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.67 |
| ▸ | HEXA | P06865 | 6/20 | 0.62 |
| ▸ | HEXB | P07686 | 6/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | OGA | O60502 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.57 |
| ▸ | FEN1 | P39748 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL10396736 | 0.85 | HEXA (0.69) | CYP1B1HEXAHEXBALDH1A1KDM4E | |
| SCHEMBL10262751 | 0.83 | CYP1B1 (0.71) | CYP1B1HEXAHEXBALDH1A1KDM4E | |
| SCHEMBL19422173 | 0.83 | CYP1B1 (0.47) | CYP1B1HEXAHEXBALDH1A1KDM4E | |
| SCHEMBL8879380 | 0.82 | HEXA (0.71) | CYP1B1HEXAHEXBALDH1A1KDM4E | |
| SCHEMBL30116495 | 0.81 | CA12 (0.54) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL113005 | 0.81 | CA12 (0.54) | ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A | |
| SCHEMBL8879310 | 0.80 | HEXA (0.71) | CYP1B1HEXAHEXBALDH1A1KDM4E | |
| SCHEMBL13207607 | 0.80 | HEXA (0.73) | CYP1B1HEXAHEXBALDH1A1KDM4E | |
| SCHEMBL10795642 | 0.80 | CYP1B1 (0.67) | CYP1B1HEXAHEXBALDH1A1KDM4E | |
| SCHEMBL9626265 | 0.80 | HEXA (0.83) | CYP1B1HEXAHEXBALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5304549-A | Control or prevention of degenerative joint diseases | HOFFMANN-LA ROCHE INC. (US) | 1994-04-19 | — | — | US | disclosed |
| EP-0497192-A2 | Amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-08-05 | — | — | EP | disclosed |