Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTBP2 | P56545 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | CMA1 | P23946 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | AGXT | P21549 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4071390 | 0.90 | CTBP2 (0.64) | CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL31618812 | 0.86 | CTBP2 (0.60) | CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL5322203 | 0.86 | CTBP2 (0.60) | CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL11621845 | 0.85 | CTBP2 (0.63) | CTBP2CYP1A2POLBMEN1KMT2A | |
| SCHEMBL23014561 | 0.83 | CTBP2 (0.57) | CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL12731506 | 0.83 | CTBP2 (0.57) | CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL3005839 | 0.83 | ALDH1A1 (0.61) | CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL27424890 | 0.82 | CTBP2 (0.56) | CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL3169034 | 0.82 | CTBP2 (0.56) | CTBP2CYP1A2POLBMTNR1AMTNR1B | |
| SCHEMBL2209808 | 0.82 | CTBP2 (0.56) | CTBP2CYP1A2ALDH1A1HTTSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4342780-A | 2-AMINO-2-FLUOROMETHYL-3-(SUBSTITUTED) PHENYL PROPIONIC ACIDS AND DERIVATIVES COADMINISTERED WITH DOPAMINE | MERRELL-TORAUDE ET CIE (FR) | 1982-08-03 | — | — | US | disclosed |