Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 11/20 | 0.69 |
| ▸ | MAOB | P27338 | 6/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Bipenamol SCHEMBL8426708 | 0.85 | TAAR1 (0.50) | TAAR1MAOBDRD2DRD1HTR2C | |
| SCHEMBL4221500 | 0.83 | TAAR1 (0.56) | TAAR1MAOBDRD2IDO1AGXT | |
| SCHEMBL29429505 | 0.83 | TAAR1 (1.00) | TAAR1MAOBDRD2DRD1HTR2C | |
| SCHEMBL146545 | 0.83 | TAAR1 (1.00) | TAAR1MAOBDRD2DRD1HTR2C | |
| Hydrochloric Acid SCHEMBL5728333 | 0.81 | TAAR1 (0.96) | TAAR1MAOBDRD2DRD1CYP2A6 | |
| Bromide SCHEMBL30599495 | 0.81 | TAAR1 (0.96) | TAAR1MAOBDRD2DRD1CYP2A6 | |
| Iodide SCHEMBL30472769 | 0.81 | TAAR1 (0.96) | TAAR1MAOBDRD2DRD1CYP2A6 | |
| Iodide SCHEMBL29040442 | 0.81 | TAAR1 (0.96) | TAAR1MAOBDRD2DRD1CYP2A6 | |
| Bromide SCHEMBL28591635 | 0.81 | TAAR1 (0.96) | TAAR1MAOBDRD2DRD1CYP2A6 | |
| SCHEMBL27969366 | 0.80 | TAAR1 (0.61) | TAAR1MAOBDRD2IDO1AGXT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |