Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | RGS12 | O14924 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.50 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8875854 | 0.88 | PTGS2 (0.61) | PTGS2TSHRMAPK1KMT2ALMNA | |
| SCHEMBL3406142 | 0.88 | KMT2A (0.65) | TSHRMAPK1KMT2ALMNAMEN1 | |
| SCHEMBL8876631 | 0.84 | PTGS2 (0.71) | PTGS2TSHRMAPK1KMT2ALMNA | |
| SCHEMBL8875146 | 0.82 | PTGS2 (0.60) | PTGS2TSHRMAPK1KMT2ALMNA | |
| SCHEMBL8875143 | 0.82 | PTGS2 (0.60) | PTGS2TSHRMAPK1KMT2ALMNA | |
| SCHEMBL31218963 | 0.82 | PTGS2 (0.64) | PTGS2TSHRMAPK1KMT2AMAPT | |
| SCHEMBL6656372 | 0.81 | PTGS2 (0.59) | PTGS2TSHRMAPK1KMT2ALMNA | |
| SCHEMBL6656385 | 0.81 | PTGS2 (0.59) | PTGS2TSHRMAPK1KMT2ALMNA | |
| SCHEMBL8081123 | 0.81 | PTGER4 (0.64) | TSHRMAPK1KMT2AMEN1MAPT | |
| SCHEMBL14728088 | 0.81 | PTGS2 (0.73) | PTGS2TSHRMAPK1KMT2ALMNA |
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-5604253-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS | MERCK FROSST CANADA, INC. (CA) | 1997-02-18 | — | — | US | disclosed |
| WO-1996037469-A1 | N-BENZYLINDOL-3-YL PROPANIC ACID DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1996-11-28 | — | — | WO | disclosed |