Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 2/20 | 0.39 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6511117 | 0.91 | CYP1A2 (0.39) | VCAM1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9264032 | 0.88 | ALDH1A1 (0.49) | MAPTGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL1507617 | 0.85 | ALDH1A1 (0.49) | VCAM1MAPTCYP3A4TSHRNPC1 | |
| SCHEMBL2685005 | 0.84 | VCAM1 (0.59) | VCAM1MAPTHPGDALDH1A1 | |
| SCHEMBL2398877 | 0.84 | TSHR (0.51) | MAPTCYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL15687843 | 0.84 | ALDH1A1 (0.49) | VCAM1P2RY6MAPTCYP1A2CYP2C19 | |
| SCHEMBL21753062 | 0.83 | PDK1 (0.43) | VCAM1P2RY6MAPTCYP1A2CYP2C19 | |
| SCHEMBL1068908 | 0.81 | TDP1 (0.50) | MAPTCYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL12226837 | 0.79 | CYP1A2 (0.35) | VCAM1P2RY6CYP1A2CYP2C19GABRA1 | |
| SCHEMBL23850829 | 0.79 | GAA (0.57) | MAPTRAB9ASMN1; SMN2ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20050101063-A1 | Three-terminal field-controlled molecular devices | TOUR JAMES M (US) | 2005-05-12 | — | — | US | disclosed |
| WO-2002035580-A2 | THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES | MOLECULAR ELECTRONICS CORPORATION (US) | 2002-05-02 | — | — | WO | disclosed |