Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TSPO | P30536 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9337268 | 0.85 | TSHR (0.40) | CYP3A4TSHRCES2CES1RIPK1 | |
| SCHEMBL4697782 | 0.85 | TSHR (0.40) | CYP3A4TSHRCES2CES1RIPK1 | |
| SCHEMBL9359593 | 0.84 | CYP3A4 (0.43) | CYP3A4RIPK1MEN1KMT2AALDH1A1 | |
| SCHEMBL9363884 | 0.82 | RIPK1 (0.46) | CYP3A4TSHRCES2CES1RIPK1 | |
| SCHEMBL9794572 | 0.82 | MLYCD (0.43) | CYP3A4TSHRCES2CES1RIPK1 | |
| SCHEMBL6454343 | 0.80 | CYP3A4 (0.42) | CYP3A4TSHRCES2CES1MEN1 | |
| SCHEMBL6453516 | 0.80 | ADORA2A (0.47) | CYP3A4ADORA2AADORA2BADORA1MEN1 | |
| SCHEMBL6692681 | 0.79 | TSHR (0.44) | CYP3A4TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL10686076 | 0.79 | HTT (0.55) | KMT2AHTTALDH1A1MAPK1 | |
| SCHEMBL7002940 | 0.77 | FSCN1 (0.49) | CYP3A4ADORA2AADORA2BADORA1TSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1567498-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-31 | — | — | EP | disclosed |
| WO-2004048335-A2 | MANDELIC ACID DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-06-10 | — | — | WO | disclosed |
| EP-0318893-B1 | Titanocenes, their use and N-substituted fluoroanilines | CIBA GEIGY AG (CH) | 1994-01-19 | — | — | EP | disclosed |
| US-5026625-A | Photoinitiators for polymerization of ethylenically unsaturated compounds | CIBA-GEIGY CORPORATION (US) | 1991-06-25 | — | — | US | disclosed |
| EP-0318893-A2 | Titanocenes, their use and N-substituted fluoroanilines | CIBA-GEIGY AG (CH) | 1989-06-07 | — | — | EP | disclosed |