Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.51 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.42 |
| ▸ | TLR2 | O60603 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.41 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17422040 | 0.87 | CYP2A6 (0.54) | CYP2A6SLC22A6IMPDH2TLR2ERN1 | |
| SCHEMBL8799039 | 0.86 | CYP2A6 (0.50) | CYP2A6IMPDH2TLR2ERN1TLR1 | |
| SCHEMBL1337138 | 0.81 | CYP2A6 (0.58) | CYP2A6IMPDH2TLR2ERN1TLR1 | |
| SCHEMBL29955729 | 0.81 | CYP2A6 (0.58) | CYP2A6IMPDH2TLR2ERN1TLR1 | |
| SCHEMBL15322953 | 0.80 | BCHE (0.51) | CYP2A6ACHE | |
| SCHEMBL30297980 | 0.80 | VCP (0.45) | SLC22A6TLR2MTNR1AMTNR1BMAPK1 | |
| SCHEMBL27095369 | 0.79 | MTNR1A (0.49) | SLC22A6MTNR1AMTNR1BKDM4EALDH1A1 | |
| SCHEMBL25792506 | 0.79 | SLC22A6 (0.58) | SLC22A6MTNR1AMTNR1BMAPK1KDM4E | |
| SCHEMBL17422135 | 0.78 | SMN1; SMN2 (0.55) | CYP2A6ALDH1A1TDP1HPGDTSHR | |
| SCHEMBL29950589 | 0.78 | CYP2A6 (0.54) | CYP2A6IMPDH2MAPK1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103772395-A | Tricyclic indole compound (I) with PARP (Poly-ADP-Ribose Polymerase) inhibiting activity, preparation method and application thereof | UNIV CHINA PHARMA | 2014-05-07 | — | — | CN | disclosed |