Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | RXRG | P48443 | 1/20 | 0.44 |
| ▸ | RGS12 | O14924 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3091261 | 0.90 | PPARG (0.49) | KDM4EMAPTHPGDHSD17B10ALDH1A1 | |
| SCHEMBL9325697 | 0.87 | DRD2 (0.51) | KDM4EMAPTHPGDHSD17B10ALDH1A1 | |
| SCHEMBL8003028 | 0.85 | PPARG (0.42) | KDM4EALDH1A1SMN1; SMN2ACHECA2 | |
| SCHEMBL11977139 | 0.81 | GFER (0.47) | MAPTHPGDALDH1A1GAATSHR | |
| SCHEMBL28404333 | 0.81 | KDM4E (0.49) | KDM4EMAPTHPGDHSD17B10ALDH1A1 | |
| SCHEMBL7426434 | 0.79 | PPARG (0.38) | ALDH1A1SMN1; SMN2ACHEPPARGPPARD | |
| SCHEMBL7600296 | 0.79 | DRD2 (0.44) | MAPTALDH1A1SMN1; SMN2ACHEPPARG | |
| Phenylacetic Acid SCHEMBL27898390 | 0.79 | AKR1B1 (0.55) | ALDH1A1RXRARXRBRXRGLMNA | |
| SCHEMBL5778832 | 0.78 | KDM4E (0.60) | KDM4EMAPTHPGDHSD17B10ALDH1A1 | |
| SCHEMBL13234685 | 0.78 | CA9 (0.53) | KDM4EMAPTHPGDHSD17B10ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1759095-A | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARM INC (US) | 2006-04-12 | — | — | CN | disclosed |
| CN-1204121-C | 1,4-substituted cyclic amine derivatives | EISAI CO LTD (JP) | 2005-06-01 | — | — | CN | disclosed |
| CN-1253547-A | 1,4-substituted cyclic amine derivatives | EISAI CO LTD (JP) | 2000-05-17 | — | — | CN | disclosed |
| US-5288749-A | Treating central nervous system or cardiovascular disorders | ABBOTT LABORATORIES (US) | 1994-02-22 | — | — | US | disclosed |