Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | MC4R | P32245 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23873018 | 0.86 | CA2 (0.34) | CA2GABRA1GABRB2MC4R | |
| SCHEMBL19405291 | 0.86 | CTSS (0.40) | TSHRCTSSGRIA4 | |
| SCHEMBL16884652 | 0.83 | CA2 (0.43) | CA2TSHRGABRA1GABRB2ALDH1A1 | |
| SCHEMBL10250747 | 0.82 | TSHR (0.40) | TSHRALDH1A1MC4RHDAC4HDAC2 | |
| SCHEMBL24000896 | 0.79 | CA2 (0.36) | CA2TSHRGABRA1GABRB2ALDH1A1 | |
| SCHEMBL11513121 | 0.77 | CA2 (0.35) | CA2TSHRGABRA1GABRB2ALDH1A1 | |
| SCHEMBL10245323 | 0.76 | ACHE (0.43) | CA2TSHRMC4RNFKB1SMN1; SMN2 | |
| SCHEMBL16590512 | 0.74 | TAAR1 (0.40) | TSHRALDH1A1TDP1NFKB1SMN1; SMN2 | |
| SCHEMBL19658029 | 0.74 | TSHR (0.42) | CA2TSHRGABRA1GABRB2MC4R | |
| SCHEMBL10246341 | 0.72 | TSHR (0.31) | TSHRMC4R |
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-9556168-B2 | N-alkylated indole and indazole compounds as RORgammaT inhibitors and uses thereof | MERCK SHARP & DOHME CORP. (US) | 2017-01-31 | — | — | US | disclosed |