Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MVD | P53602 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20187636 | 0.84 | HSD17B10 (0.42) | ALDH1A1MEN1KMT2APOLBMVD | |
| SCHEMBL22403271 | 0.81 | ALDH1A1 (0.32) | ALDH1A1MEN1KMT2APOLBKDM4E | |
| SCHEMBL20200024 | 0.81 | KDM4E (0.43) | ALDH1A1MEN1KMT2APOLBSIGMAR1 | |
| SCHEMBL20199840 | 0.80 | TACR1 (0.32) | ALDH1A1MEN1KMT2APOLBTACR1 | |
| SCHEMBL20200035 | 0.79 | — | — | |
| SCHEMBL20187501 | 0.79 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2APOLBMVD | |
| SCHEMBL5434193 | 0.79 | HSD17B10 (0.47) | ALDH1A1KDM4ETACR1TSHR | |
| SCHEMBL14470272 | 0.79 | HSD17B10 (0.47) | ALDH1A1KDM4ETACR1TSHR | |
| SCHEMBL13569369 | 0.79 | HSD17B10 (0.47) | ALDH1A1KDM4ETACR1TSHR | |
| SCHEMBL70778 | 0.78 | TSHR (0.46) | ALDH1A1KDM4ETSHR |
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 |