Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7519323 | 1.00 | AHR (0.47) | AHRCYP1A2PTGS1PTGS2NR1H3 | |
| SCHEMBL7515514 | 1.00 | AHR (0.47) | AHRCYP1A2PTGS1PTGS2NR1H3 | |
| SCHEMBL7518829 | 0.80 | PTGS1 (0.39) | PTGS1PTGS2PIM1PIM2 | |
| SCHEMBL7518821 | 0.80 | PTGS1 (0.39) | PTGS1PTGS2PIM1PIM2 | |
| SCHEMBL7520340 | 0.80 | MAOB (0.46) | AHRCYP1A2FBP1NFE2L2 | |
| SCHEMBL7520343 | 0.80 | MAOB (0.46) | AHRCYP1A2FBP1NFE2L2 | |
| SCHEMBL7523379 | 0.80 | MAOB (0.42) | CYP1A2HIF1ANFE2L2 | |
| SCHEMBL7523377 | 0.80 | MAOB (0.42) | CYP1A2HIF1ANFE2L2 | |
| SCHEMBL7520866 | 0.77 | AHR (0.35) | AHRHDAC1HDAC8HDAC6 | |
| SCHEMBL7513779 | 0.77 | AHR (0.35) | AHRHDAC1HDAC8HDAC6 |
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-1173420-A2 | HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY | Novuspharma S.p.A. (IT) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000053581-A2 | HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY | NOVUSPHARMA S.P.A. (IT) | 2000-09-14 | — | — | WO | disclosed |