Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.35 |
| ▸ | LTB4R | Q15722 | 7/20 | 0.34 |
| ▸ | LTB4R2 | Q9NPC1 | 4/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.30 |
| ▸ | PPARG | P37231 | 2/20 | 0.30 |
| ▸ | PPARD | Q03181 | 2/20 | 0.30 |
| ▸ | PPARA | Q07869 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8864178 | 0.85 | HTR1B (0.33) | PARP1HDAC3HDAC1HDAC2NFKB1 | |
| SCHEMBL4927839 | 0.78 | NFKB1 (0.39) | LTB4RLTB4R2NFKB1NFKB2RELA | |
| SCHEMBL8052477 | 0.75 | PIN1 (0.37) | PARP1LTB4RLTB4R2KDM4ESMN1; SMN2 | |
| SCHEMBL5311384 | 0.72 | HTR1B (0.46) | PARP1LTB4RLTB4R2KDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4246638 | 0.71 | HTR1B (0.46) | PARP1LTB4RLTB4R2KDM4ESMN1; SMN2 | |
| SCHEMBL14525306 | 0.71 | ALDH1A1 (0.38) | LTB4RLTB4R2KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL1735559 | 0.70 | MLNR (0.50) | HDAC3HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL908153 | 0.70 | MLNR (0.50) | HDAC3HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL13925775 | 0.70 | MLNR (0.50) | HDAC3HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL30585650 | 0.70 | MLNR (0.50) | HDAC3HDAC1HDAC2NFKB1NFKB2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5607949-A | VASOCONTRICTORS, TREATING MIGRAIN | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-03-04 | — | — | US | disclosed |