Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7572169 | 0.91 | PKM (0.57) | CYP2C19KDM4ETSHRABCB1SMN1; SMN2 | |
| SCHEMBL7572390 | 0.90 | KDM4E (0.58) | KDM4ETSHRABCB1HSD17B10KMT2A | |
| SCHEMBL7570879 | 0.87 | DRD2 (0.53) | TSHRKMT2A | |
| SCHEMBL1382380 | 0.87 | DRD2 (0.53) | TSHRKMT2A | |
| SCHEMBL7565949 | 0.86 | KDM4E (0.51) | KDM4EABCB1HSD17B10NPSR1KMT2A | |
| SCHEMBL1383323 | 0.85 | CHRNA7 (0.49) | TSHR | |
| SCHEMBL1381988 | 0.85 | CHRNA7 (0.49) | TSHR | |
| SCHEMBL7588884 | 0.83 | ADRB3 (0.44) | TSHRABCB1HSD17B10SMN1; SMN2KMT2A | |
| SCHEMBL7573958 | 0.83 | CACNA1G (0.48) | KMT2ARECQL | |
| SCHEMBL7569775 | 0.83 | HTR1A (0.53) | KDM4ETSHRABCB1HSD17B10SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4806149-B2 | — | — | 2011-11-02 | — | — | JP | claimed |
| EP-1216244-A1 | Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists | Aventis Pharmaceuticals Inc. (US) | 2002-06-26 | — | — | EP | claimed |
| WO-2001019821-A1 | BENZISOXAZOLYL-, PYRIDOISOXAZOLYL- AND BENZTHIENYL-PHENOXY DERIVATIVES USEFUL AS D4 ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2001-03-22 | — | — | WO | claimed |