Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 13/20 | 0.58 |
| ▸ | RAB9A | P51151 | 13/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 10/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.58 |
| ▸ | TP53 | P04637 | 5/20 | 0.58 |
| ▸ | PKM | P14618 | 5/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 6/20 | 0.54 |
| ▸ | METAP2 | P50579 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | METAP1 | P53582 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MTOR | P42345 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30561047 | 0.75 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL30634854 | 0.75 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL172216 | 0.75 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL18171537 | 0.75 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL1272832 | 0.74 | NPC1 (0.72) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL31315034 | 0.74 | RAB9A (0.74) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL31315035 | 0.74 | RAB9A (0.74) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| Water SCHEMBL9817804 | 0.73 | NPC1 (0.95) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL31509605 | 0.73 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL29079508 | 0.73 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-111423429-A | Benzimidazole united furazan series compounds and synthesis method thereof | 江西科技师范大学 | 2020-07-17 | — | — | CN | claimed |
| CN-111423429-A | Benzimidazole united furazan series compounds and synthesis method thereof | 江西科技师范大学 | 2020-07-17 | — | — | CN | disclosed |