Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.59 |
| ▸ | NPC1 | O15118 | 12/20 | 0.59 |
| ▸ | RAB9A | P51151 | 12/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.59 |
| ▸ | HPGD | P15428 | 7/20 | 0.59 |
| ▸ | MEN1 | O00255 | 6/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.59 |
| ▸ | PKM | P14618 | 4/20 | 0.59 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.59 |
| ▸ | MASP2 | O00187 | 1/20 | 0.55 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.55 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.54 |
| ▸ | TP53 | P04637 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 7/20 | 0.53 |
| ▸ | GAA | P10253 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1086983 | 0.83 | ALDH1A1 (0.81) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL19119423 | 0.83 | ALDH1A1 (0.63) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL29539476 | 0.83 | ALDH1A1 (0.81) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL1086985 | 0.83 | ALDH1A1 (0.81) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL718647 | 0.79 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL3081168 | 0.79 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL376644 | 0.79 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL18422383 | 0.79 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL291450 | 0.79 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL8661689 | 0.79 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9AKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0888344-A1 | SPIROCYCLE INTEGRIN INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997033887-A1 | SPIROCYCLE INTEGRIN INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1997-09-18 | — | — | WO | disclosed |