Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | RGS12 | O14924 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL9079910 | 0.76 | ALDH1A1 (0.61) | MCL1ALDH1A1HSD17B10LMNAMEN1 | |
| SCHEMBL11784301 | 0.76 | MCL1 (0.48) | MCL1ALDH1A1HSD17B10LMNAMEN1 | |
| SCHEMBL8956467 | 0.74 | MCL1 (0.47) | MCL1ALDH1A1HSD17B10LMNAMEN1 | |
| SCHEMBL29123207 | 0.73 | MCL1 (0.46) | MCL1ALDH1A1HSD17B10LMNAMEN1 | |
| SCHEMBL9493720 | 0.73 | HSD17B10 (0.52) | MCL1ALDH1A1HSD17B10LMNAMEN1 | |
| SCHEMBL2710877 | 0.73 | MCL1 (0.46) | MCL1ALDH1A1HSD17B10LMNAMEN1 | |
| SCHEMBL11434258 | 0.71 | APP (0.55) | MCL1ALDH1A1HSD17B10LMNAMEN1 | |
| SCHEMBL6561636 | 0.70 | ESR1 (0.47) | MCL1ALDH1A1HSD17B10LMNAMEN1 | |
| SCHEMBL11306746 | 0.70 | MEN1 (0.44) | MCL1ALDH1A1HSD17B10LMNAMEN1 | |
| SCHEMBL22840506 | 0.70 | ALDH1A1 (0.44) | MCL1ALDH1A1HSD17B10LMNAMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011106276-A1 | TASK CHANNEL ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-09-01 | — | — | WO | disclosed |
| WO-2011103715-A1 | TASK CHANNEL ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-09-01 | — | — | WO | disclosed |