Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2499199 | 0.86 | NPC1 (0.56) | RAB9ASMN1; SMN2NPC1ALDH1A1POLB | |
| SCHEMBL11599893 | 0.84 | ALDH1A1 (0.59) | RAB9ASMN1; SMN2RXFP1NPC1ALDH1A1 | |
| SCHEMBL7637081 | 0.82 | RAB9A (0.68) | RAB9ASMN1; SMN2NFKB1NFKB2RELA | |
| SCHEMBL6280282 | 0.81 | MTNR1A (0.51) | RAB9ASMN1; SMN2RXFP1NPC1ALDH1A1 | |
| SCHEMBL6281255 | 0.81 | NPC1 (0.53) | RAB9ASMN1; SMN2NPC1ALDH1A1POLB | |
| SCHEMBL8597033 | 0.81 | ALDH1A1 (0.52) | RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1 | |
| SCHEMBL7455676 | 0.81 | NPC1 (0.50) | RAB9ASMN1; SMN2NPC1ALDH1A1POLB | |
| SCHEMBL5685556 | 0.79 | RAB9A (0.53) | RAB9ASMN1; SMN2TP53NFKB1NFKB2 | |
| SCHEMBL13596052 | 0.78 | SMPD1 (0.50) | MAOBRAB9ASMN1; SMN2MRGPRX4TP53 | |
| SCHEMBL5045385 | 0.78 | ALDH1A1 (0.56) | RAB9ASMN1; SMN2TP53RXFP1NPC1 |
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-2002042261-A2 | PROCESS FOR PREPARING α-(3-ARYLTHIO)-ACETOPHENONES | ELI LILLY AND COMPANY (US) | 2002-05-30 | — | — | WO | disclosed |