Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | FPR2 | P25090 | 2/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | AXL | P30530 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.37 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17185192 | 0.81 | LMNA (0.46) | KMT2AHPGDNPSR1LMNATDP1 | |
| SCHEMBL31063578 | 0.80 | CA1 (0.42) | ALDH1A1HPGDNPSR1KDM4ECA1 | |
| SCHEMBL31063581 | 0.79 | TDP1 (0.43) | ALDH1A1NPSR1KDM4ECA1CA2 | |
| SCHEMBL31455709 | 0.76 | NOTUM (0.38) | ALDH1A1HPGDSCN9ANOTUMKDM4E | |
| SCHEMBL24515578 | 0.76 | LMNA (0.45) | ALDH1A1HPGDAXLKDM4EPOLB | |
| SCHEMBL24515938 | 0.74 | CYP1A2 (0.44) | ALDH1A1KMT2AHPGDKDM4EPOLB | |
| SCHEMBL4466049 | 0.74 | CA12 (0.42) | ALDH1A1KMT2AHPGDNPSR1RXRA | |
| SCHEMBL17184697 | 0.73 | KDM4E (0.51) | ALDH1A1KMT2AHPGDKDM4EPOLB | |
| SCHEMBL5918245 | 0.72 | HPGD (0.54) | ALDH1A1KMT2AHPGDCA1CA2 | |
| SCHEMBL3990255 | 0.72 | KDM4E (0.47) | ALDH1A1HPGDNOTUMKDM4ECA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015161011-A1 | BENZAMIDE CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-10-22 | — | — | WO | disclosed |