Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17893884 | 0.84 | TSHR (0.53) | TSHRCYP3A4TP53LMNASMN1; SMN2 | |
| Water SCHEMBL17895239 | 0.81 | TSHR (0.49) | TSHRCYP3A4TP53HTTLMNA | |
| SCHEMBL31171418 | 0.78 | TSHR (0.60) | TSHRCYP3A4TDP1LMNASMN1; SMN2 | |
| SCHEMBL31171420 | 0.78 | TSHR (0.60) | TSHRCYP3A4TDP1LMNASMN1; SMN2 | |
| SCHEMBL4510914 | 0.78 | TSHR (0.47) | TSHRCYP3A4TDP1TP53HTT | |
| SCHEMBL7592447 | 0.78 | TDP1 (0.48) | TSHRTDP1TP53HTTNPSR1 | |
| SCHEMBL4501006 | 0.78 | LMNA (0.49) | TSHRTDP1TP53HTTNPSR1 | |
| SCHEMBL20607773 | 0.78 | TSHR (0.47) | TSHRTDP1TP53HTTNPSR1 | |
| SCHEMBL29456210 | 0.78 | TSHR (0.47) | TSHRTDP1TP53HTTNPSR1 | |
| SCHEMBL22533321 | 0.77 | TSHR (0.44) | TSHRCYP3A4CA12CA1CA2 |
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-2016109221-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | WO | disclosed |
| WO-2016106625-A1 | BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | WO | disclosed |