Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 9/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19872896 | 0.78 | TSHR (0.41) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL21034480 | 0.75 | CTSK (0.36) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL9063 | 0.74 | CA1 (0.35) | CA1CA2 | |
| SCHEMBL13823388 | 0.74 | CA1 (0.35) | CA1CA2 | |
| SCHEMBL21676281 | 0.73 | TSHR (0.39) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL20691444 | 0.72 | CA1 (0.41) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL20273063 | 0.72 | CA1 (0.41) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL13786526 | 0.71 | CYP2D6 (0.31) | CA1CA2CA7CYP2D6 | |
| SCHEMBL21413604 | 0.70 | TSHR (0.41) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL22387620 | 0.70 | CTSK (0.35) | TSHRLMNACYP3A4NFKB1ADRA1A |
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-9988391-B2 | TBK/IKK inhibitor compounds and uses thereof | MERCK PATENT GMBH (DE) | 2018-06-05 | — | — | US | disclosed |