Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.50 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.50 |
| ▸ | GABRP | O00591 | 1/20 | 0.50 |
| ▸ | GABRD | O14764 | 1/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.50 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.50 |
| ▸ | GABRE | P78334 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.50 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.50 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL2351082 | 0.79 | TSHR (0.58) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL3260267 | 0.77 | GABRA1 (0.50) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL9638423 | 0.76 | CES2 (0.48) | TSHREPHX1CYP3A4 | |
| SCHEMBL13755704 | 0.71 | GABRP (0.34) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL8356925 | 0.70 | — | — | |
| SCHEMBL3774341 | 0.69 | TSHR (0.65) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL12628504 | 0.69 | TSHR (0.41) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| Isonipecotic Acid SCHEMBL27347127 | 0.69 | TSHR (0.90) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| Methane SCHEMBL28161957 | 0.69 | TSHR (0.44) | TSHRGABRA1GABRG2GABRB3GABRA5 | |
| Isonipecotic Acid SCHEMBL2027408 | 0.67 | TSHR (1.00) | TSHRGABRA1GABRG2GABRB3GABRA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3569609-A1 | HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS | GlycoMimetics, Inc. (US) | 2019-11-20 | — | — | EP | disclosed |