Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LIMK1 | P53667 | 6/20 | 0.37 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23046382 | 0.92 | CYP2A6 (0.43) | CYP2A6CYP1A2TDP1KDM4EALDH1A1 | |
| SCHEMBL15599412 | 0.85 | BCL2L1 (0.40) | KDM4EGAALMNALIMK1ESR1 | |
| SCHEMBL19916759 | 0.85 | LIMK1 (0.42) | CYP2A6CYP1A2TDP1LIMK1ESR1 | |
| SCHEMBL17037062 | 0.85 | LIMK1 (0.41) | LIMK1ESR1ESR2BCL2L1MCL1 | |
| SCHEMBL26324938 | 0.85 | LIMK1 (0.41) | LIMK1ESR1ESR2BCL2L1MCL1 | |
| SCHEMBL18470294 | 0.85 | LIMK1 (0.41) | LIMK1ESR1ESR2BCL2L1MCL1 | |
| SCHEMBL17356254 | 0.84 | LMNA (0.41) | CYP2A6CYP1A2TDP1KDM4EGAA | |
| SCHEMBL12797478 | 0.82 | CYP2A6 (0.46) | CYP2A6CYP1A2TDP1KDM4EGAA | |
| SCHEMBL9976848 | 0.81 | ESR1 (0.47) | CYP1A2KDM4EALDH1A1HPGDLIMK1 | |
| SCHEMBL21848895 | 0.81 | CYP2A6 (0.45) | CYP2A6CYP1A2TDP1KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-8440713-B2 | [1]benzothieno[3,2-B][1]benzothiophene compound and method for producing the same, and organic electronic device using the same | RICOH COMPANY, LTD. (JP) | 2013-05-14 | — | — | US | disclosed |