Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | POLQ | O75417 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL43013 | 0.87 | IDO1 (0.61) | IDO1MAOBALDH1A1POLBTDP1 | |
| Methane SCHEMBL27580279 | 0.85 | IDO1 (0.59) | IDO1MAOBALDH1A1POLBTDP1 | |
| Hydrochloric Acid SCHEMBL6169962 | 0.85 | IDO1 (0.62) | IDO1MAOBALDH1A1POLBTDP1 | |
| Ethane SCHEMBL27580262 | 0.83 | IDO1 (0.57) | IDO1MAOBALDH1A1POLBTDP1 | |
| Butane SCHEMBL27559468 | 0.79 | IDO1 (0.53) | IDO1MAOBALDH1A1POLBTDP1 | |
| SCHEMBL7525689 | 0.79 | IDO1 (0.40) | IDO1MAOBALDH1A1POLBTDP1 | |
| SCHEMBL27559449 | 0.78 | IDO1 (0.52) | IDO1MAOBALDH1A1POLBTDP1 | |
| SCHEMBL29915506 | 0.75 | MAOB (0.57) | IDO1MAOBALDH1A1POLBTDP1 | |
| SCHEMBL41933 | 0.75 | MAOB (0.47) | IDO1MAOBALDH1A1POLBTDP1 | |
| SCHEMBL1011004 | 0.75 | MAOB (0.57) | IDO1MAOBALDH1A1POLBTDP1 |
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-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |