Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 5/20 | 0.59 |
| ▸ | AGTR1 | P30556 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10153654 | 0.87 | NPC1 (0.47) | ALDH1A1SMN1; SMN2RAB9AAGTR1NPC1 | |
| SCHEMBL10153281 | 0.81 | SMN1; SMN2 (0.59) | ALDH1A1SMN1; SMN2RAB9ANPC1MAPT | |
| SCHEMBL9961071 | 0.74 | SMN1; SMN2 (0.57) | ALDH1A1SMN1; SMN2RAB9ANPC1HPGD | |
| SCHEMBL10153984 | 0.71 | SMN1; SMN2 (0.47) | SMN1; SMN2RAB9ANPC1MAPTGAA | |
| SCHEMBL10153683 | 0.71 | SMN1; SMN2 (0.56) | SMN1; SMN2RAB9ANPC1MAPTKDM4E | |
| SCHEMBL18306399 | 0.70 | AKR1C3 (0.83) | ALDH1A1SMN1; SMN2RAB9AAGTR1NPC1 | |
| SCHEMBL8703993 | 0.69 | NPC1 (0.72) | ALDH1A1SMN1; SMN2RAB9AAGTR1NPC1 | |
| SCHEMBL10153655 | 0.69 | ABL1 (0.53) | ALDH1A1SMN1; SMN2RAB9ANPC1MAPT | |
| SCHEMBL10153310 | 0.69 | NR4A2 (0.47) | ALDH1A1SMN1; SMN2HPGDMAPTGAA | |
| SCHEMBL10154075 | 0.69 | SLC6A4 (0.43) | ALDH1A1SMN1; SMN2RAB9ANPC1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |