Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4823648 | 0.89 | NPC1 (0.44) | ALDH1A1MAPTKDM4ERAB9ANPC1 | |
| SCHEMBL29033804 | 0.80 | KCNJ1 (0.44) | ALDH1A1MAPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL10340370 | 0.79 | ALDH1A1 (0.61) | ALDH1A1MAPTKDM4ERAB9ANPC1 | |
| SCHEMBL27895648 | 0.77 | ALDH1A1 (0.51) | ALDH1A1MAPTKDM4ERAB9ANPC1 | |
| SCHEMBL17392495 | 0.76 | HSP90AA1 (0.44) | KDM4ELMNAKMT2AMEN1HSP90AA1 | |
| SCHEMBL11091901 | 0.75 | LTA4H (0.55) | ALDH1A1MAPTKDM4ERAB9ANPC1 | |
| SCHEMBL4543192 | 0.75 | L3MBTL1 (0.53) | ALDH1A1MAPTKDM4ERAB9ANPC1 | |
| SCHEMBL9034058 | 0.75 | MAPT (0.59) | ALDH1A1MAPTKDM4ERAB9ANPC1 | |
| SCHEMBL8536432 | 0.74 | ALDH1A1 (0.48) | ALDH1A1MAPTKDM4ERAB9ANPC1 | |
| SCHEMBL10555940 | 0.74 | RAB9A (0.49) | ALDH1A1MAPTKDM4ERAB9ANPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103304555-B | One group of benzene-oxazolyl derivative and preparation method thereof and the related application as IMPDH inhibitor | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2016-03-30 | — | — | CN | disclosed |