Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.37 |
| ▸ | PPIA | P62937 | 1/20 | 0.37 |
| ▸ | PPID | Q08752 | 1/20 | 0.37 |
| ▸ | PPIL1 | Q9Y3C6 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 4/20 | 0.34 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.34 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8046921 | 0.79 | PIN1 (0.35) | PIN1PPIAPPIDPPIL1PARP1 | |
| SCHEMBL28602393 | 0.77 | NFKB1 (0.43) | LTB4RLTB4R2MAPTALDH1A1TDP1 | |
| SCHEMBL27347850 | 0.76 | RAB9A (0.35) | PIN1PPIAPPIDPPIL1TTR | |
| SCHEMBL8921059 | 0.75 | PARP1 (0.35) | PARP1LTB4RLTB4R2KDM4ESMN1; SMN2 | |
| SCHEMBL29739713 | 0.71 | PARP1 (0.51) | PIN1PPIAPPIDPPIL1PARP1 | |
| SCHEMBL6634968 | 0.71 | PARP1 (0.51) | PIN1PPIAPPIDPPIL1PARP1 | |
| SCHEMBL5311384 | 0.71 | HTR1B (0.46) | PARP1LTB4RLTB4R2MAPTKDM4E | |
| Hydrochloric Acid SCHEMBL4246638 | 0.70 | HTR1B (0.46) | PARP1LTB4RLTB4R2MAPTKDM4E | |
| SCHEMBL14525306 | 0.70 | ALDH1A1 (0.38) | LTB4RLTB4R2CYP2C9MAPTKDM4E | |
| SCHEMBL1735559 | 0.69 | MLNR (0.50) | L3MBTL1AKR1B1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6100268-A | MIGRAINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2000-08-08 | — | — | US | disclosed |
| CN-1052006-C | Dihydrobenzopyran derivatives as vasoconstrictors, preparation and use thereof | JANSSEN PHARMACEUTICA NV (NL) | 2000-05-03 | — | — | CN | disclosed |
| US-5824682-A | Vasoconstrictive dihydrobenzopyran derivatives | JANSSEN PHARMACEUTICA, N.V. (BE) | 1998-10-20 | — | — | US | disclosed |
| CN-1129451-A | Dihydrobenzopyran derivatives as vasoconstrictors | JANSSEN PHARMACEUTICA NV (BE) | 1996-08-21 | — | — | CN | disclosed |
| EP-0714396-A1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995005383-A1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-02-23 | — | — | WO | disclosed |