Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | KIT | P10721 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10175602 | 0.88 | HTR2B (0.51) | HTR2BHTR6KITTP53TSHR | |
| SCHEMBL17896628 | 0.86 | HTR2B (0.46) | HTR2BHTR6KITCYP11B2CYP11B1 | |
| SCHEMBL17896627 | 0.83 | PTGS2 (0.51) | PTGS2HTR2BHTR6KITCYP11B2 | |
| SCHEMBL17896634 | 0.81 | HTR2B (0.71) | HTR2BHTR6CYP11B2CYP11B1PKM | |
| SCHEMBL17896630 | 0.81 | NPBWR1 (0.48) | HTR2BHTR6KITTP53TSHR | |
| SCHEMBL17896626 | 0.81 | HTR2B (0.67) | PTGS2HTR2BHTR6KITCYP11B2 | |
| SCHEMBL167098 | 0.80 | MEN1 (0.57) | HTR2BHTR6KITNPC1ALDH1A1 | |
| SCHEMBL460705 | 0.79 | ACSS2 (0.45) | NPC1ALDH1A1TP53MAPTALOX15 | |
| SCHEMBL10175601 | 0.78 | HTR2B (0.43) | HTR2BHTR6KITCYP11B2CYP11B1 | |
| SCHEMBL10175145 | 0.78 | CYP11B2 (0.55) | PTGS2ALOX15CYP11B2CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9382226-B2 | Aldosterone synthase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |
| US-9382226-B2 | Aldosterone synthase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-07-05 | — | — | US | disclosed |