Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.50 |
| ▸ | HTR6 | P50406 | 7/20 | 0.43 |
| ▸ | HTR1A | P08908 | 4/20 | 0.40 |
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 3/20 | 0.40 |
| ▸ | HTR1B | P28222 | 3/20 | 0.40 |
| ▸ | HTR1F | P30939 | 3/20 | 0.40 |
| ▸ | HTR7 | P34969 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30090933 | 0.90 | SIGMAR1 (0.43) | TAAR1HTR6HTR2AHRH1SIGMAR1 | |
| Bromide SCHEMBL30738184 | 0.88 | SIGMAR1 (0.42) | TAAR1HTR6HTR2AHRH1SIGMAR1 | |
| SCHEMBL15876838 | 0.82 | CYP3A4 (0.50) | HTR1AHTR2ADRD2CYP3A4TDP1 | |
| SCHEMBL3665712 | 0.81 | SLC6A4 (0.44) | TAAR1HTR2ACYP3A4TDP1 | |
| SCHEMBL10581558 | 0.81 | CYP3A4 (0.48) | HTR1AHTR2ADRD2CYP3A4TDP1 | |
| Bromide SCHEMBL7881740 | 0.80 | SLC6A4 (0.43) | TAAR1HTR2ACYP3A4TDP1 | |
| Iodide SCHEMBL29883634 | 0.80 | SLC6A4 (0.43) | TAAR1HTR2ACYP3A4TDP1 | |
| SCHEMBL30958560 | 0.79 | CYP3A4 (0.42) | HTR1ACYP3A4TDP1 | |
| SCHEMBL24713493 | 0.79 | ALDH1A1 (0.41) | CYP3A4TDP1SIGMAR1 | |
| Bromide SCHEMBL31040938 | 0.78 | CYP3A4 (0.41) | HTR1ACYP3A4TDP1 |
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-0968216-B1 | PHOSPHINE LIGANDS WITH AMINO ACID GROUPS, METHOD FOR THEIR PRODUCTION AND USE THEREOF AS CATALYST COMPONENTS | CELANESE CHEM EUROPE GMBH (DE) | 2002-10-16 | — | — | EP | disclosed |
| US-6300517-B1 | SUITABLE AS CONSTITUENTS OF METAL COMPLEXES WHICH CAN BE USED AS CATALYSTS FOR REACTIONS TO FORM C--C, C--H, C--N, C--SI OR C--O BONDS | CELANESE GMBH (DE) | 2001-10-09 | — | — | US | disclosed |