Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.64 |
| ▸ | RAB9A | P51151 | 4/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | PKM | P14618 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | PORCN | Q9H237 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | IMPDH2 | P12268 | 4/20 | 0.55 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | MGLL | Q99685 | 1/20 | 0.51 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.49 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.49 |
| ▸ | CETP | P11597 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL15741652 | 0.89 | NPC1 (0.59) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL16197725 | 0.88 | NPC1 (0.58) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL14027190 | 0.84 | KMT2A (0.76) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL14518594 | 0.81 | IMPDH2 (0.61) | IMPDH2IMPDH1AAK1ERCC1ERCC4 | |
| SCHEMBL14543462 | 0.80 | KMT2A (0.66) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL1473598 | 0.79 | IMPDH2 (0.82) | IMPDH2IMPDH1AAK1HDAC3HDAC4 | |
| SCHEMBL16197884 | 0.78 | PORCN (1.00) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL4518077 | 0.78 | PORCN (0.64) | NPC1RAB9AALDH1A1LMNAPORCN | |
| SCHEMBL15742655 | 0.77 | PORCN (0.58) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL1514320 | 0.77 | PORCN (0.58) | NPC1RAB9AKDM4EALDH1A1PKM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014079850-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-05-30 | — | — | WO | disclosed |
| WO-2014079850-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-05-30 | — | — | WO | disclosed |
| US-7205324-B2 | Inhibitors of IMPDH enzyme | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-04-17 | — | — | US | disclosed |