Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.38 |
| ▸ | RAB9A | P51151 | 7/20 | 0.38 |
| ▸ | NPC1 | O15118 | 6/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL17725550 | 0.94 | ALDH1A1 (0.39) | KDM4ESMN1; SMN2RAB9ANPC1HSD17B10 | |
| SCHEMBL17713611 | 0.89 | CYP2D6 (0.41) | KDM4ESMN1; SMN2RAB9ANPC1HSD17B10 | |
| SCHEMBL17713607 | 0.85 | NR5A1 (0.42) | KDM4ERAB9ATP53ALDH1A1HPGD | |
| SCHEMBL17713612 | 0.85 | APP (0.43) | KDM4ENPC1HSD17B10KMT2AALDH1A1 | |
| SCHEMBL18296615 | 0.85 | APP (0.43) | KDM4ENPC1HSD17B10KMT2AALDH1A1 | |
| SCHEMBL18294661 | 0.81 | ALOX5 (0.45) | KDM4ESMN1; SMN2RAB9ANPC1HSD17B10 | |
| SCHEMBL15591173 | 0.80 | NISCH (0.39) | KDM4ESMN1; SMN2RAB9ANPC1ALDH1A1 | |
| SCHEMBL19700322 | 0.79 | FYN (0.36) | KDM4ERAB9ANPC1MEN1KMT2A | |
| SCHEMBL15591185 | 0.77 | APP (0.35) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15441171 | 0.77 | APP (0.38) | KDM4ENPC1HSD17B10KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016066494-A1 | HOLE-TRANSPORT MATERIALS FOR ORGANIC SOLAR CELLS OR ORGANIC OPTICAL SENSORS | BASF SE (DE) | 2016-05-06 | — | — | WO | disclosed |
| WO-2016066494-A1 | HOLE-TRANSPORT MATERIALS FOR ORGANIC SOLAR CELLS OR ORGANIC OPTICAL SENSORS | BASF SE (DE) | 2016-05-06 | — | — | WO | disclosed |