Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | NAAA | Q02083 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ESRRG | P62508 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2413620 | 0.99 | NPC1 (0.56) | NPC1HTTALDH1A1HPGDKDM4E | |
| SCHEMBL2416232 | 0.97 | NPC1 (0.50) | NPC1HTTALDH1A1HPGDKDM4E | |
| SCHEMBL2417392 | 0.94 | HPGD (0.50) | NPC1HTTALDH1A1HPGDKDM4E | |
| SCHEMBL2420395 | 0.90 | NPC1 (0.46) | NPC1HTTALDH1A1HPGDKDM4E | |
| SCHEMBL31119121 | 0.75 | HTT (0.69) | NPC1HTTALDH1A1HPGDKDM4E | |
| SCHEMBL31119120 | 0.75 | HTT (0.69) | NPC1HTTALDH1A1HPGDKDM4E | |
| SCHEMBL5707054 | 0.75 | HTT (0.69) | NPC1HTTALDH1A1HPGDKDM4E | |
| SCHEMBL3195875 | 0.75 | HPGD (0.64) | NPC1HTTALDH1A1HPGDKDM4E | |
| SCHEMBL11162200 | 0.74 | HPGD (0.52) | NPC1HTTALDH1A1HPGDKDM4E | |
| SCHEMBL15561464 | 0.74 | NPC1 (0.64) | NPC1HTTALDH1A1HPGDKDM4E |
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-2549991-B1 | FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA | VIFOR (INTERNATIONAL) AG (CH) | 2017-11-22 | — | — | EP | disclosed |
| EP-2549991-A1 | FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS | Vifor (International) AG (CH) | 2013-01-30 | — | — | EP | disclosed |
| WO-2011117225-A1 | FE(III) COMPLEX COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANEMIAS | VIFOR (INTERNATIONAL) AG (CH) | 2011-09-29 | — | — | WO | disclosed |