Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL16323429 | 0.94 | TSHR (0.56) | TSHRTDP1ALDH1A1LMNATRPA1 | |
| SCHEMBL10864142 | 0.83 | TSHR (0.45) | TSHRTDP1ALDH1A1LMNATRPA1 | |
| SCHEMBL5175266 | 0.82 | TSHR (0.42) | TSHRLMNATRPA1SPHK1TRPV1 | |
| SCHEMBL7219024 | 0.80 | LMNA (0.48) | TSHRTDP1ALDH1A1LMNASPHK1 | |
| SCHEMBL16078621 | 0.78 | SPHK1 (0.48) | TSHRALDH1A1LMNATRPA1SPHK1 | |
| SCHEMBL3747066 | 0.77 | — | — | |
| SCHEMBL2985874 | 0.77 | — | — | |
| SCHEMBL106122 | 0.77 | — | — | |
| SCHEMBL789937 | 0.77 | — | — | |
| SCHEMBL10076291 | 0.77 | — | — |
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-9757385-B2 | Method of treating leukemia using pharmaceutical formulation containing thienotriazolodiazepine compounds | MERCK SHARP & DOHME CORP. (US) | 2017-09-12 | — | — | US | disclosed |