Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.68 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | NQO2 | P16083 | 2/20 | 0.48 |
| ▸ | GABRP | O00591 | 1/20 | 0.45 |
| ▸ | GABRD | O14764 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.45 |
| ▸ | GABRE | P78334 | 1/20 | 0.45 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.45 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.45 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.45 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28027004 | 0.85 | NQO2 (0.61) | CYP2A6IMPDH2KMT2ANQO2NR0B1 | |
| SCHEMBL28061379 | 0.85 | NQO2 (0.61) | CYP2A6IMPDH2KMT2ANQO2NR0B1 | |
| 3-Formylindole SCHEMBL27819977 | 0.84 | CYP2A6 (0.66) | CYP2A6IMPDH2KMT2ANQO2GABRP | |
| SCHEMBL333756 | 0.84 | MAPT (0.56) | KMT2ANQO2ALDH1A1HPGDMAPT | |
| SCHEMBL29935774 | 0.84 | MAPT (0.56) | KMT2ANQO2ALDH1A1HPGDMAPT | |
| Hydrochloric Acid SCHEMBL27545773 | 0.82 | MAPT (0.54) | KMT2ANQO2ALDH1A1HPGDMAPT | |
| Hydrochloric Acid SCHEMBL27593140 | 0.82 | MAPT (0.54) | KMT2ANQO2ALDH1A1HPGDMAPT | |
| 3-Formylindole SCHEMBL38654556 | 0.82 | CYP2A6 (1.00) | CYP2A6IMPDH2KMT2APIM1PIM3 | |
| 3-Formylindole SCHEMBL56373 | 0.82 | CYP2A6 (1.00) | CYP2A6IMPDH2KMT2APIM1PIM3 | |
| 3-Formylindole SCHEMBL30782674 | 0.82 | CYP2A6 (1.00) | CYP2A6IMPDH2KMT2APIM1PIM3 |
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-1248777-A2 | TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 2002-10-16 | — | — | EP | disclosed |
| WO-2001051479-A2 | TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY | WARNER-LAMBERT COMPANY (US) | 2001-07-19 | — | — | WO | disclosed |