Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.47 |
| ▸ | GLS | O94925 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9219690 | 0.90 | TAAR1 (0.64) | TAAR1TSHRPOLBMAPTADRA2A | |
| SCHEMBL9217680 | 0.87 | TAAR1 (0.66) | TAAR1TSHRPOLBMAPTADRA2A | |
| SCHEMBL9278592 | 0.85 | TAAR1 (0.63) | TAAR1TSHRPOLBMAPTADRA2A | |
| SCHEMBL9173413 | 0.82 | CYP2C19 (0.56) | TAAR1TSHRMAPTNPC1RAB9A | |
| SCHEMBL9171406 | 0.82 | — | — | |
| SCHEMBL2030841 | 0.82 | TAAR1 (0.71) | TAAR1TSHRPOLBADRA2AADRA2B | |
| Hydrochloric Acid SCHEMBL3072380 | 0.80 | TAAR1 (0.57) | TAAR1TSHRPOLBMAPTADRA2A | |
| SCHEMBL9213768 | 0.78 | TAAR1 (0.66) | TAAR1TSHRPOLBMAPTADRA2A | |
| SCHEMBL20135772 | 0.77 | TAAR1 (0.73) | TAAR1TSHRPOLBADRA2AADRA2B | |
| SCHEMBL20146704 | 0.77 | TAAR1 (0.73) | TAAR1TSHRPOLBADRA2AADRA2B |
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-4122258-A | Process for producing desacetoxycephalosporin derivatives by heating a penicillin-1-oxide in presence of an organic sulfide | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1978-10-24 | — | — | US | claimed |
| US-4122258-A | Process for producing desacetoxycephalosporin derivatives by heating a penicillin-1-oxide in presence of an organic sulfide | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1978-10-24 | — | — | US | disclosed |