Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAP2K1 | Q02750 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8560743 | 1.00 | ALDH1A1 (0.46) | ALDH1A1NPC1LMNATP53RAB9A | |
| SCHEMBL10833113 | 0.90 | KDM4E (0.42) | ALDH1A1NPC1LMNATP53RAB9A | |
| SCHEMBL9510438 | 0.76 | KDM4E (0.39) | ALDH1A1NPC1KDM4EHSD17B10KMT2A | |
| SCHEMBL7782098 | 0.73 | CYP2D6 (0.38) | ALDH1A1NPC1KDM4EHSD17B10KMT2A | |
| SCHEMBL31517932 | 0.73 | CYP2D6 (0.38) | ALDH1A1NPC1KDM4EHSD17B10KMT2A | |
| SCHEMBL10833114 | 0.73 | KDM4E (0.44) | ALDH1A1NPC1LMNATP53RAB9A | |
| SCHEMBL907623 | 0.72 | MAPT (0.45) | ALDH1A1LMNARAB9AKDM4EPOLB | |
| SCHEMBL27405623 | 0.72 | MAPT (0.45) | ALDH1A1LMNARAB9AKDM4EPOLB | |
| SCHEMBL10833048 | 0.72 | MAP2K1 (0.45) | ALDH1A1NPC1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL16931286 | 0.71 | POLB (0.39) | ALDH1A1RAB9AKDM4EPOLBHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0846111-A1 | SYNTHESES OF OPTICALLY PURE COMPOUNDS USEFUL AS GARFT INHIBITORS AND THEIR INTERMEDIATES | AGOURON PHARMACEUTICALS, INC. (US) | 1998-06-10 | — | — | EP | disclosed |
| WO-1996040674-A1 | SYNTHESES OF OPTICALLY PURE COMPOUNDS USEFUL AS GARFT INHIBITORS AND THEIR INTERMEDIATES | AGOURON PHARMACEUTICALS, INC. (US) | 1996-12-19 | — | — | WO | disclosed |
| US-4578378-A | (Oxoheterocyclic carbonamido)cephem carboxylic acid derivatives | SHIONOGI & CO., LTD. (JP) | 1986-03-25 | — | — | US | disclosed |