Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7490899 | 0.88 | HDAC1 (0.45) | PTGS2HSD11B1ALDH1A1P2RX7SMN1; SMN2 | |
| SCHEMBL7481950 | 0.77 | ALDH1A1 (0.38) | HSD11B1ALDH1A1L3MBTL1CA12CA9 | |
| SCHEMBL7487578 | 0.74 | HDAC1 (0.48) | PTGS2PTGS1P2RX7 | |
| SCHEMBL7482230 | 0.73 | HDAC1 (0.47) | ALDH1A1CYP2D6CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL7486763 | 0.70 | NSD2 (0.39) | PTGS2HSD11B1PTGS1P2RX7 | |
| SCHEMBL7480824 | 0.70 | TDP1 (0.35) | HSD11B1ALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL7482618 | 0.69 | PSIP1 (0.41) | HSD11B1ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9007469 | 0.67 | CYP2A6 (0.49) | CYP11B1CYP11B2ALDH1A1CYP2A6CYP2E1 | |
| SCHEMBL5207841 | 0.66 | HDAC1 (0.58) | PTGS2PTGS1P2RX7 | |
| SCHEMBL13241497 | 0.65 | NAPRT (0.63) | PTGS2NAPRTCYP11B1CYP11B2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214322-A2 | AMINO-TRIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-19 | — | — | EP | disclosed |
| US-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |
| WO-2001017999-A2 | AMINO-TRIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-03-15 | — | — | WO | disclosed |