Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 3/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20273007 | 0.87 | ESR1 (0.40) | KCNN4RAB9AMEN1NPC1MAPT | |
| SCHEMBL3988420 | 0.81 | TAAR1 (0.45) | ALDH1A1TAAR1LMNACYP3A4CYP2C19 | |
| SCHEMBL7905302 | 0.79 | KCNN4 (0.39) | KCNN4CYP17A1LOXL2ACHESMN1; SMN2 | |
| SCHEMBL3161216 | 0.78 | MAPT (0.48) | LOXL2ACHEALDH1A1RAB9ACYP3A4 | |
| SCHEMBL13756441 | 0.78 | TSHR (0.46) | ACHETAAR1RAB9AMEN1NPC1 | |
| SCHEMBL24041245 | 0.76 | ESR1 (0.33) | RAB9AMEN1NPC1MAPTKMT2A | |
| SCHEMBL13749516 | 0.76 | CYP19A1 (0.46) | SMN1; SMN2ALDH1A1LMNAKDM4EMEN1 | |
| SCHEMBL24855930 | 0.76 | CYP2A6 (0.38) | ALDH1A1TAAR1MEN1MAPK1KMT2A | |
| SCHEMBL2568927 | 0.76 | KCNN4 (0.45) | KCNN4LOXL2TAAR1RAB9AUSP2 | |
| SCHEMBL9550959 | 0.76 | ESR1 (0.60) | ACHESMN1; SMN2ALDH1A1USP2LMNA |
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-6200993-B1 | ASTHMA; ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA & CO. (CA) | 2001-03-13 | — | — | US | disclosed |