Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.36 |
| ▸ | WDR5 | P61964 | 6/20 | 0.36 |
| ▸ | GNA11 | P29992 | 2/20 | 0.35 |
| ▸ | GNAQ | P50148 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | ACACA | Q13085 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8867512 | 0.93 | GBA1 (0.34) | NPC1RAB9AWDR5CHEK1 | |
| SCHEMBL8866637 | 0.85 | WDR5 (0.42) | WDR5ACACBACACA | |
| SCHEMBL8866094 | 0.83 | ACACB (0.45) | ACACBACACA | |
| SCHEMBL8866617 | 0.81 | ACACB (0.51) | ACACBACACA | |
| SCHEMBL8866377 | 0.80 | ACACB (0.38) | NPC1RAB9AGNA11GNAQALDH1A1 | |
| SCHEMBL8866110 | 0.80 | ACACB (0.41) | NPC1RAB9AWDR5GNA11GNAQ | |
| Trifluoroacetic Acid SCHEMBL8867001 | 0.79 | DPP4 (0.37) | NPC1RAB9AWDR5GNA11GNAQ | |
| SCHEMBL8866642 | 0.75 | RPS6KB1 (0.37) | WDR5GNA11GNAQCHEK1 | |
| SCHEMBL8865835 | 0.75 | ACACB (0.49) | WDR5ACACBACACA | |
| SCHEMBL8865702 | 0.73 | GBA1 (0.42) | NPC1RAB9AKDM4EMAPTACACB |
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 |
|---|---|---|---|---|---|---|---|
| US-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |
| EP-0668278-A1 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1995-08-23 | — | — | EP | disclosed |