Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.31 |
| ▸ | COPS5 | Q92905 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18231539 | 0.81 | MAPT (0.39) | TAAR1AMY1ACYP2A6CYP1A2TDP1 | |
| SCHEMBL2100606 | 0.81 | IDO1 (0.42) | IDO1TAAR1AMY1ACYP2A6CYP1A2 | |
| SCHEMBL14194626 | 0.80 | IDO1 (0.46) | IDO1TAAR1AMY1ACYP2A6CYP1A2 | |
| SCHEMBL27628977 | 0.79 | AMY1A (0.39) | TAAR1AMY1ACYP2A6CYP1A2TDP1 | |
| SCHEMBL5352730 | 0.78 | TAAR1 (0.56) | IDO1TAAR1AMY1ACYP2A6CYP1A2 | |
| SCHEMBL6299443 | 0.76 | TAAR1 (0.39) | TAAR1AMY1ACYP2A6CYP1A2TDP1 | |
| SCHEMBL29644918 | 0.76 | L3MBTL1 (0.40) | TAAR1TP53SMN1; SMN2ALDH1A1 | |
| SCHEMBL24073162 | 0.74 | IDO1 (0.41) | IDO1TAAR1AMY1ACYP2A6CYP1A2 | |
| SCHEMBL3852993 | 0.74 | TAAR1 (0.42) | IDO1TAAR1AMY1ACYP2A6CYP1A2 | |
| SCHEMBL14599886 | 0.74 | AMY1A (0.59) | IDO1AMY1ATDP1TP53ALOX15 |
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-6791338-B1 | Gated nanoscale switch having channel of molecular wires | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. | 2004-09-14 | — | — | US | disclosed |