Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.60 |
| ▸ | DRD2 | P14416 | 3/20 | 0.60 |
| ▸ | DRD1 | P21728 | 3/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 2/20 | 0.60 |
| ▸ | DRD4 | P21917 | 2/20 | 0.60 |
| ▸ | DRD5 | P21918 | 2/20 | 0.60 |
| ▸ | DRD3 | P35462 | 2/20 | 0.60 |
| ▸ | RECQL | P46063 | 2/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | HTR1A | P08908 | 2/20 | 0.60 |
| ▸ | APEX1 | P27695 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL25122207 | 0.85 | TAAR1 (0.60) | TAAR1MAPK1KDM4EADRA2ASLC6A2 | |
| SCHEMBL12245502 | 0.85 | ABAT (0.41) | TAAR1MAPK1KDM4EADRA2ASLC6A2 | |
| SCHEMBL21252818 | 0.82 | TAAR1 (0.45) | TAAR1MAPK1KDM4EADRA2ASLC6A2 | |
| SCHEMBL13917357 | 0.79 | TAAR1 (0.47) | TAAR1MAPK1KDM4EADRA2ASLC6A2 | |
| SCHEMBL16404803 | 0.79 | TAAR1 (0.42) | TAAR1MAPK1KDM4EADRA2ASLC6A2 | |
| SCHEMBL1029877 | 0.79 | KAT8 (0.50) | MAPK1KDM4EADRA2ASLC6A2SLC6A3 | |
| Dopamine SCHEMBL26694346 | 0.78 | KDM4E (0.95) | TAAR1MAPK1KDM4EADRA2ASLC6A2 | |
| SCHEMBL13936153 | 0.77 | TAAR1 (0.55) | TAAR1MAPK1KDM4EADRA2ASLC6A2 | |
| SCHEMBL3282385 | 0.77 | TRPA1 (0.57) | MAPK1KDM4EMAPTALDH1A1ALOX15 | |
| SCHEMBL23268391 | 0.77 | GAA (0.38) | KDM4ETDP1MAPTALDH1A1APEX1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20150267233-A1 | COMPOSITIONS AND METHODS FOR PRODUCING BENZYLISOQUINOLINE ALKALOIDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2015-09-24 | — | — | US | disclosed |
| US-8557290-B2 | Multifunction nanoconjugates for imaging applications and targeted treatment | NORTHWESTERN UNIVERSITY (US) | 2013-10-15 | — | — | US | disclosed |