Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.49 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| 1,3-Dipropoxybenzene SCHEMBL73716 | 0.89 | KMT2A (0.63) | KMT2AGPBAR1CYSLTR1TSHRKDM4E | |
| SCHEMBL7614389 | 0.88 | KMT2A (0.54) | KMT2AGPBAR1CYSLTR1TSHRKDM4E | |
| SCHEMBL1770370 | 0.85 | TP53 (0.50) | TSHRMAPK1LMNA | |
| 1-Ethoxy-3-Propoxybenzene SCHEMBL3459404 | 0.83 | MAPK1 (0.59) | KMT2AGPBAR1CYSLTR1TSHRKDM4E | |
| SCHEMBL9487763 | 0.83 | KMT2A (0.58) | KMT2AGPBAR1CYSLTR1TSHRKDM4E | |
| 1-Butyloxy-3-Propoxybenzene SCHEMBL3390925 | 0.83 | TSHR (0.59) | KMT2AGPBAR1CYSLTR1TSHRMAPK1 | |
| SCHEMBL16973792 | 0.82 | MAPK1 (0.50) | TSHRKDM4EMAPK1CYP1A2CYP2D6 | |
| 1-Propoxy-3-Pentoxybenzene SCHEMBL4568913 | 0.82 | TSHR (0.68) | KMT2AGPBAR1CYSLTR1TSHR | |
| SCHEMBL10796629 | 0.82 | KMT2A (0.61) | KMT2AGPBAR1CYSLTR1TSHRMAPK1 | |
| 1-Methoxy-3-Propoxybenzene SCHEMBL791921 | 0.82 | MAPK1 (0.62) | KMT2AGPBAR1CYSLTR1TSHRMAPK1 |
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-2643000-A2 | THERAPEUTIC PIPERAZINES | Dart Neuroscience (Cayman) Ltd (KY) | 2013-10-02 | — | — | EP | disclosed |
| WO-2012040258-A2 | THERAPEUTIC PIPERAZINES | HELICON THERAPEUTICS, INC. (US) | 2012-03-29 | — | — | WO | disclosed |