Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Indomethacin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 10/20 | 0.79 |
| ▸ | PTGS1 known ✓ | P23219 | 3/20 | 0.79 |
| ▸ | AKR1C3 | P42330 | 7/20 | 0.79 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.79 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.79 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.79 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.79 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.79 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.79 |
| ▸ | LMNA | P02545 | 2/20 | 0.79 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.79 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.79 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.79 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.79 |
| ▸ | MEN1 | O00255 | 1/20 | 0.79 |
| ▸ | PTGES | O14684 | 1/20 | 0.79 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.79 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.79 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.79 |
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 | |
|---|---|---|---|---|
| Indomethacin SCHEMBL356273 | 1.00 | PTGS2 (0.79) | PTGS2AKR1C3AKR1C2PTGS1HIF1A | |
| Indomethacin SCHEMBL1307338 | 0.92 | PTGS2 (0.75) | PTGS2AKR1C3AKR1C2PTGS1HIF1A | |
| Indomethacin SCHEMBL4300161 | 0.90 | PTGS2 (0.74) | PTGS2AKR1C3AKR1C2PTGS1HIF1A | |
| Indomethacin SCHEMBL29525957 | 0.89 | PTGS2 (1.00) | PTGS2AKR1C3AKR1C2PTGS1HIF1A | |
| Indomethacin SCHEMBL29353712 | 0.89 | PTGS2 (1.00) | PTGS2AKR1C3AKR1C2PTGS1HIF1A | |
| Indomethacin SCHEMBL3518614 | 0.89 | PTGS2 (1.00) | PTGS2AKR1C3AKR1C2PTGS1HIF1A | |
| Indomethacin SCHEMBL9300 | 0.89 | PTGS2 (1.00) | PTGS2AKR1C3AKR1C2PTGS1HIF1A | |
| Indomethacin SCHEMBL23391006 | 0.88 | PTGS2 (0.98) | PTGS2AKR1C3AKR1C2PTGS1HIF1A | |
| Indomethacin SCHEMBL8352438 | 0.88 | PTGS2 (0.98) | PTGS2AKR1C3AKR1C2PTGS1HIF1A | |
| Indomethacin SCHEMBL1817813 | 0.88 | PTGS2 (0.98) | PTGS2AKR1C3AKR1C2PTGS1HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-4163783-A | ACID AND A BIS/2-PYRIDYL-1-OXIDE/DISULFIDE | KLEIN ROBERT W | 1979-08-07 | — | — | US | disclosed |
| US-4152430-A | ANTIINFLAMMATORY AGENTS | WILLIAM H. RORER, INC. (US) | 1979-05-01 | — | — | US | disclosed |