Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.48 |
| ▸ | CACNA1G | O43497 | 5/20 | 0.47 |
| ▸ | CACNA1I | Q9P0X4 | 5/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.46 |
| ▸ | RELA | Q04206 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CACNA1H | O95180 | 4/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27398369 | 0.78 | CYP19A1 (0.50) | NPC1RAB9AALDH1A1CYP19A1CACNA1G | |
| SCHEMBL18577540 | 0.76 | CYP19A1 (0.48) | NPC1RAB9AALDH1A1CYP19A1CACNA1G | |
| SCHEMBL8011610 | 0.76 | CACNA1G (0.51) | NPC1RAB9AALDH1A1CYP19A1CACNA1G | |
| SCHEMBL22149669 | 0.76 | CYP19A1 (0.48) | NPC1RAB9AALDH1A1CYP19A1CACNA1G | |
| SCHEMBL10247346 | 0.76 | GFER (0.60) | NPC1RAB9AALDH1A1CYP19A1CACNA1G | |
| SCHEMBL18577609 | 0.76 | CYP19A1 (0.48) | NPC1RAB9AALDH1A1CYP19A1CACNA1G | |
| SCHEMBL7862499 | 0.76 | NPC1 (0.49) | NPC1RAB9AALDH1A1CYP19A1CACNA1G | |
| SCHEMBL634581 | 0.76 | ALDH1A1 (0.65) | NPC1RAB9AALDH1A1CYP19A1CACNA1G | |
| SCHEMBL21070404 | 0.76 | NPC1 (0.46) | NPC1RAB9AALDH1A1CYP19A1CACNA1G | |
| SCHEMBL17397357 | 0.76 | CYP19A1 (0.44) | NPC1RAB9AALDH1A1CYP19A1CACNA1G |
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 |
|---|---|---|---|---|---|---|---|
| CN-109071508-A | Benzimidazole bis-indole compound as novel divalent IAP antagonist | 南京明德新药研发股份有限公司 | 2018-12-21 | — | — | CN | disclosed |