Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2168154 | 0.82 | ALDH1A1 (0.41) | ALDH1A1ALOX15CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL3702838 | 0.76 | TSHR (0.63) | ALDH1A1TSHR | |
| SCHEMBL21905419 | 0.76 | TSHR (0.63) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL42755 | 0.75 | — | — | |
| SCHEMBL11562295 | 0.75 | ALOX15 (0.41) | ALDH1A1ALOX15CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL3165458 | 0.74 | — | — | |
| SCHEMBL1738987 | 0.74 | TSHR (0.54) | ALDH1A1ALOX15CHRNB2CHRNA4CHRNB4 | |
| Ammonia Solution, Strong SCHEMBL28649186 | 0.73 | — | — | |
| SCHEMBL28762366 | 0.72 | ALOX15 (0.42) | ALDH1A1ALOX15CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL28762367 | 0.72 | ALOX15 (0.42) | ALDH1A1ALOX15CHRNB2CHRNA4CHRNB4 |
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-1328515-A1 | INDOLINE DERIVATIVES AND THEIR USE AS 5-HT2 RECEPTOR LIGANDS | F. Hoffmann-La Roche AG (CH) | 2003-07-23 | — | — | EP | disclosed |
| WO-2002044152-A1 | INDOLINE DERIVATIVES AND THEIR USE AS 5-HT2 RECEPTOR LIGANDS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-06 | — | — | WO | disclosed |