Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17485549 | 0.75 | HTR2C (0.38) | PARP1MAPTALDH1A1TSHRHPGD | |
| SCHEMBL20100561 | 0.71 | PARP1 (0.56) | PARP1MAPTALDH1A1HSD17B10KDM4E | |
| SCHEMBL19181725 | 0.64 | PIK3C3 (0.37) | ALDH1A1 | |
| SCHEMBL26541546 | 0.63 | MEN1 (0.37) | CDK5SMN1; SMN2KDM4EMAPKAPK2MEN1 | |
| SCHEMBL31569523 | 0.63 | HRH3 (0.38) | PARP1ALDH1A1GAA | |
| SCHEMBL16669939 | 0.62 | PLAT (0.39) | PARP1TSHRHPGDKDM4EGAA | |
| SCHEMBL65823 | 0.59 | MEN1 (0.33) | LMNAMEN1KMT2A | |
| SCHEMBL16684902 | 0.58 | ALOX5 (0.43) | ALDH1A1TSHRLMNAHPGDHSD17B10 | |
| SCHEMBL17707989 | 0.58 | PIK3C3 (0.34) | — | |
| Dimethyl Phthalate SCHEMBL28064028 | 0.57 | TSHR (0.71) | MAPTALDH1A1TSHRLMNAHSD17B10 |
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-2018079628-A1 | PYRROLE DERIVATIVE WITH FUSED RING AND PHARMACEUTICAL USE THEREOF | 大日本住友製薬株式会社 | 2018-05-03 | — | — | WO | disclosed |