Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.88 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LIN28A | Q9H9Z2 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30487681 | 0.94 | — | — | |
| SCHEMBL42445 | 0.94 | — | — | |
| Iodide SCHEMBL28648099 | 0.91 | HRH1 (0.95) | HRH1HRH3LMNAALDH1A1TAAR1 | |
| SCHEMBL27534574 | 0.91 | HRH1 (0.95) | HRH1HRH3LMNAALDH1A1TAAR1 | |
| Hydrochloric Acid SCHEMBL4382757 | 0.91 | HRH1 (0.95) | HRH1HRH3LMNAALDH1A1TAAR1 | |
| Hydrochloric Acid SCHEMBL3723683 | 0.91 | HRH1 (0.95) | HRH1HRH3LMNAALDH1A1TAAR1 | |
| Ammonia Solution, Strong SCHEMBL1186124 | 0.91 | HRH1 (0.95) | HRH1HRH3LMNAALDH1A1TAAR1 | |
| Hydrochloric Acid SCHEMBL22366541 | 0.89 | HRH1 (0.91) | HRH1HRH3LMNAALDH1A1TAAR1 | |
| SCHEMBL10672099 | 0.89 | HRH1 (0.67) | HRH1HRH3LMNAALDH1A1TAAR1 | |
| SCHEMBL29375684 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999002990-A1 | COMBINATORIAL PROCESS FOR PREPARING FUSED SUBSTITUTED PYRIMIDINE LIBRARIES | ELI LILLY AND COMPANY (US) | 1999-01-21 | — | — | WO | disclosed |
| WO-1998008839-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |