Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.41 |
| ▸ | CHRNG | P07510 | 1/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | CHRND | Q07001 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8080223 | 0.98 | NPC1 (0.46) | NPC1RAB9AMAPTDRD2DRD3 | |
| SCHEMBL12620676 | 0.98 | NPC1 (0.46) | NPC1RAB9AMAPTDRD2DRD3 | |
| SCHEMBL15235463 | 0.86 | ALDH1A1 (0.54) | NPC1RAB9AMAPTDRD3ALDH1A1 | |
| SCHEMBL8075166 | 0.84 | DRD3 (0.46) | DRD2DRD3ALDH1A1ACHETAS1R3 | |
| SCHEMBL802970 | 0.82 | ALDH1A1 (0.39) | NPC1RAB9AMAPTALDH1A1KMT2A | |
| SCHEMBL15235464 | 0.82 | KMT2A (0.45) | NPC1RAB9AMAPTALDH1A1KMT2A | |
| SCHEMBL16838506 | 0.81 | ACHE (0.56) | NPC1RAB9AMAPTDRD2DRD3 | |
| SCHEMBL2227028 | 0.81 | GNG2 (0.46) | MAPTKMT2AACHE | |
| SCHEMBL803415 | 0.78 | ALDH1A1 (0.38) | NPC1RAB9AMAPTDRD2DRD3 | |
| SCHEMBL14996518 | 0.78 | ALDH1A1 (0.44) | NPC1RAB9AMAPTALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5518997-A | ALDEHYDES, ESTERS, KETONES | PROCTER AND GAMBLE CO. (US) | 1996-05-21 | — | — | US | claimed |