Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 3/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
| ▸ | PRKACG | P22612 | 1/20 | 0.37 |
| ▸ | PRKACB | P22694 | 1/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6424000 | 0.92 | PTGS2 (0.42) | SRCPTGS2LMNAPTGS1MAPT | |
| SCHEMBL6426355 | 0.92 | PTGS2 (0.42) | SRCPTGS2PTGS1PRKACAPRKACG | |
| SCHEMBL5554442 | 0.91 | SRC (0.40) | SRCPTGS2LMNACYP2D6 | |
| SCHEMBL5554437 | 0.91 | SRC (0.40) | SRCPTGS2LMNACYP2D6 | |
| SCHEMBL5550631 | 0.91 | SRC (0.40) | SRCPTGS2LMNACYP2D6 | |
| SCHEMBL5558915 | 0.90 | PTGS2 (0.54) | PTGS2LMNAPTGS1CYP1A2CYP2D6 | |
| SCHEMBL5554467 | 0.90 | PTGS2 (0.54) | PTGS2LMNAPTGS1CYP1A2CYP2D6 | |
| SCHEMBL5554524 | 0.90 | PTGS2 (0.54) | PTGS2LMNAPTGS1CYP1A2CYP2D6 | |
| SCHEMBL6423916 | 0.90 | SRC (0.44) | SRCPTGS2PTGS1PRKACAPRKACG | |
| SCHEMBL5558646 | 0.89 | PTGS2 (0.43) | SRCPTGS2 |
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-7960544-B2 | Useful indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-06-14 | — | — | US | disclosed |