Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28847454 | 0.78 | ALDH1A1 (0.38) | CYP3A4ALDH1A1LMNAMAPTRAB9A | |
| SCHEMBL28847474 | 0.76 | ALDH1A1 (0.36) | ALDH1A1LMNAMAPTRAB9AKMT2A | |
| SCHEMBL28847427 | 0.73 | AAK1 (0.39) | CYP3A4HIF1AALDH1A1LMNAHPGD | |
| SCHEMBL28847509 | 0.73 | P2RX7 (0.38) | ALDH1A1LMNAP2RX7OPRL1 | |
| SCHEMBL11928237 | 0.72 | ALDH1A1 (0.46) | CYP3A4HIF1AALDH1A1LMNAHPGD | |
| SCHEMBL23525009 | 0.69 | NPC1 (0.62) | ALDH1A1KMT2AAAK1NPC1SMN1; SMN2 | |
| SCHEMBL23525007 | 0.69 | NPC1 (0.62) | ALDH1A1KMT2AAAK1NPC1SMN1; SMN2 | |
| SCHEMBL28847449 | 0.69 | MAPT (0.41) | CYP3A4ALDH1A1LMNAMAPTRAB9A | |
| SCHEMBL28847473 | 0.68 | AAK1 (0.41) | CYP3A4HIF1AALDH1A1HPGDMAPT | |
| SCHEMBL23524967 | 0.68 | ITK (0.42) | KMT2AAAK1NPC1 |
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-115087655-A | Benzimidazole derivatives | 辉瑞公司 | 2022-09-20 | — | — | CN | disclosed |