Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 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 | |
|---|---|---|---|---|
| SCHEMBL10141203 | 0.87 | — | — | |
| SCHEMBL28298 | 0.87 | — | — | |
| SCHEMBL10141202 | 0.87 | — | — | |
| SCHEMBL21114388 | 0.87 | TSHR (0.57) | TSHRCYP2D6NAPRTGAAKDM4E | |
| Water SCHEMBL5567597 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL1147719 | 0.85 | — | — | |
| Phosphine SCHEMBL30485793 | 0.85 | — | — | |
| SCHEMBL17363100 | 0.85 | — | — | |
| SCHEMBL4325727 | 0.85 | — | — | |
| SCHEMBL27670315 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014041518-A1 | THIENOPYRROLE DERIVATIVES AS ITK INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2014-03-20 | — | — | WO | disclosed |