Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TSPO | P30536 | 1/20 | 0.41 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | REN | P00797 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20187486 | 0.87 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2APOLBTSPO | |
| SCHEMBL29834101 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2APOLBTSPO | |
| SCHEMBL23656474 | 0.85 | MEN1 (0.39) | ALDH1A1MEN1KMT2APOLBTACR1 | |
| SCHEMBL20191192 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2APOLBTSPO | |
| SCHEMBL20187483 | 0.81 | CTSL (0.46) | ALDH1A1MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL20199816 | 0.80 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL20200024 | 0.80 | KDM4E (0.43) | ALDH1A1MEN1KMT2APOLBMRGPRX1 | |
| SCHEMBL20199981 | 0.80 | DRD4 (0.43) | ALDH1A1OPRM1SIGMAR1TACR1DRD4 | |
| SCHEMBL22446610 | 0.79 | POLB (0.42) | ALDH1A1MEN1KMT2APOLBTACR1 | |
| SCHEMBL572327 | 0.77 | ALDH1A1 (0.62) | ALDH1A1MEN1KMT2ASMN1; SMN2SIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3544964-B1 | HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING | Bayer Pharma AG (DE) | 2020-06-17 | — | — | EP | disclosed |
| WO-2018096082-A1 | HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2018-05-31 | — | — | WO | disclosed |