Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL12864216 | 0.93 | SRD5A2 (0.47) | SRD5A2SIRT1PDK2CNR1CNR2 | |
| SCHEMBL13649845 | 0.84 | PDK2 (0.40) | PDK2RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL10053610 | 0.84 | PDK2 (0.40) | PDK2RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL12864228 | 0.83 | ESR1 (0.40) | SRD5A2SIRT1PDK2RAB9ANPC1 | |
| SCHEMBL2605937 | 0.79 | CHRM5 (0.37) | PDK2CNR1CNR2SMN1; SMN2MEN1 | |
| SCHEMBL1553113 | 0.78 | PDK2 (0.53) | SRD5A2SIRT1PDK2CNR1CNR2 | |
| SCHEMBL1552805 | 0.78 | PDK2 (0.53) | SRD5A2SIRT1PDK2CNR1CNR2 | |
| SCHEMBL2605984 | 0.78 | ALDH1A1 (0.48) | SRD5A2PDK2CNR1CNR2RAB9A | |
| SCHEMBL1167840 | 0.77 | TDP1 (0.52) | SRD5A2PDK2CNR1CNR2RAB9A | |
| SCHEMBL2605973 | 0.77 | VNN1 (0.41) | PDK2CNR1CNR2SMN1; SMN2MEN1 |
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-2260023-B1 | FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2012-04-25 | — | — | EP | disclosed |
| WO-2009124627-A1 | FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES | MERCK PATENT GMBH (DE) | 2009-10-15 | — | — | WO | disclosed |