Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22411215 | 0.96 | NPC1 (0.33) | NPC1LMNATP53RAB9ASMN1; SMN2 | |
| SCHEMBL23859889 | 0.94 | NPC1 (0.30) | NPC1LMNATP53RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL23859890 | 0.94 | NPC1 (0.32) | NPC1LMNATP53RAB9ASMN1; SMN2 | |
| SCHEMBL1455223 | 0.91 | NPC1 (0.36) | NPC1LMNATP53RAB9ASMN1; SMN2 | |
| SCHEMBL26606293 | 0.88 | — | — | |
| SCHEMBL26606308 | 0.86 | — | — | |
| SCHEMBL29695891 | 0.83 | NPC1 (0.30) | NPC1LMNATP53RAB9ASMN1; SMN2 | |
| SCHEMBL16683341 | 0.83 | PDCD1 (0.30) | — | |
| SCHEMBL3398271 | 0.82 | SMN1; SMN2 (0.31) | NPC1LMNATP53RAB9ASMN1; SMN2 | |
| SCHEMBL12617135 | 0.82 | NPC1 (0.31) | NPC1LMNATP53RAB9ASMN1; SMN2 |
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-2021194831-A1 | ALKYLATION OF TRANSITION METAL COORDINATION CATALYST COMPLEXES | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2021-09-30 | — | — | WO | disclosed |