Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.78 |
| ▸ | TSHR | P16473 | 2/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | ESR1 | P03372 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1138721 | 0.93 | KMT2A (0.84) | KMT2ATSHRALDH1A1ESR1HSD17B10 | |
| SCHEMBL9744197 | 0.89 | KMT2A (0.82) | KMT2ATSHRALDH1A1ESR1HSD17B10 | |
| SCHEMBL13110327 | 0.88 | KMT2A (1.00) | KMT2ATSHRALDH1A1ESR1HSD17B10 | |
| SCHEMBL9400327 | 0.86 | TSHR (0.78) | KMT2ATSHRALDH1A1ESR1HSD17B10 | |
| SCHEMBL9440204 | 0.86 | TSHR (0.82) | KMT2ATSHRALDH1A1ESR1HSD17B10 | |
| SCHEMBL9440201 | 0.86 | TSHR (0.82) | KMT2ATSHRALDH1A1ESR1HSD17B10 | |
| SCHEMBL1138526 | 0.86 | TSHR (0.82) | KMT2ATSHRALDH1A1ESR1HSD17B10 | |
| SCHEMBL9440018 | 0.85 | KMT2A (0.68) | KMT2ATSHRALDH1A1ESR1HSD17B10 | |
| SCHEMBL1138480 | 0.85 | TSHR (1.00) | KMT2ATSHRALDH1A1ESR1HSD17B10 | |
| SCHEMBL4308950 | 0.85 | KMT2A (0.75) | KMT2ATSHRALDH1A1ESR1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5112890-A | Piperidine compound with oxygen bonded to ring nitrogen | CIBA-GEIGY CORPORATION (US) | 1992-05-12 | — | — | US | disclosed |