Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.40 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | SPR | P35270 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.36 |
| ▸ | CRHR1 | P34998 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15780518 | 0.74 | APLNR (0.41) | SPRALDH1A1HPGDAPLNR | |
| SCHEMBL19144976 | 0.73 | OPRM1 (0.41) | POLBAPLNR | |
| SCHEMBL10783583 | 0.71 | TP53 (0.44) | TP53LPAR1LPAR5MLYCDSPR | |
| SCHEMBL30778096 | 0.71 | TP53 (0.37) | TP53LPAR1LPAR5MLYCDSPR | |
| SCHEMBL5429491 | 0.70 | MLYCD (0.51) | TP53MLYCDEGFRERBB2HPGD | |
| SCHEMBL15148333 | 0.70 | APLNR (0.41) | TDP1ALDH1A1APLNR | |
| SCHEMBL14141210 | 0.69 | TP53 (0.50) | TP53MLYCDEGFRERBB2TDP1 | |
| SCHEMBL7967022 | 0.69 | MLYCD (0.64) | TP53MLYCDEGFRERBB2ALDH1A1 | |
| SCHEMBL17580501 | 0.69 | EGFR (0.42) | TP53EGFRERBB2ALDH1A1HPGD | |
| SCHEMBL19550744 | 0.68 | APLNR (0.37) | MLYCDTDP1ALDH1A1APLNR |
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-3402781-B1 | 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2020-03-04 | — | — | EP | disclosed |