Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14850915 | 0.86 | ALDH1A1 (0.52) | ALDH1A1RAB9ANPC1KDM4ECYP3A4 | |
| SCHEMBL15629500 | 0.79 | ALDH1A1 (0.52) | ALDH1A1RAB9ANPC1KDM4ECYP3A4 | |
| SCHEMBL31347400 | 0.77 | ALDH1A1 (0.38) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL31347405 | 0.77 | ALDH1A1 (0.38) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL13554346 | 0.76 | CSF1R (0.41) | RAB9ANPC1HPGD | |
| SCHEMBL18123545 | 0.76 | KCNH2 (0.39) | ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL12565424 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KDM4ECYP3A4CYP2C19HIF1A | |
| SCHEMBL12891556 | 0.76 | CYP1A2 (0.45) | ALDH1A1RAB9ANPC1KDM4ECYP3A4 | |
| SCHEMBL30908140 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KDM4ECYP3A4CYP2C19HIF1A | |
| SCHEMBL9814928 | 0.75 | FAAH (0.43) | ALDH1A1RAB9ANPC1SMN1; SMN2PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2944637-B1 | NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF | FUJIFILM CORP (JP) | 2020-02-19 | — | — | EP | disclosed |