Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | PNMT | P11086 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 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 | |
|---|---|---|---|---|
| SCHEMBL377007 | 1.00 | TSHR (0.42) | TSHRPNMTCYP1A2CYP2A6LMNA | |
| Hydrochloric Acid SCHEMBL3291195 | 0.98 | TSHR (0.41) | TSHRPNMTCYP1A2CYP2A6LMNA | |
| SCHEMBL5588312 | 0.83 | CYP3A4 (0.41) | TSHRLMNACYP3A4TDP1 | |
| SCHEMBL5587839 | 0.83 | TSHR (0.32) | TSHRCYP1A2CYP2A6LMNA | |
| SCHEMBL5587462 | 0.83 | PNMT (0.33) | TSHRPNMTCYP1A2LMNAMEN1 | |
| SCHEMBL5590657 | 0.83 | CYP3A4 (0.41) | TSHRLMNACYP3A4TDP1 | |
| SCHEMBL29953266 | 0.79 | — | — | |
| SCHEMBL653876 | 0.79 | — | — | |
| SCHEMBL8436824 | 0.77 | CYP3A4 (0.40) | CYP2A6CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL8436823 | 0.77 | TSHR (0.45) | TSHRPNMTCYP1A2CYP2A6LMNA |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |