Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14415151 | 0.86 | SMN1; SMN2 (0.50) | KMT2AMAPTHTTMEN1ALDH1A1 | |
| SCHEMBL30254313 | 0.84 | PKM (0.44) | KMT2AMAPTPKMEPHX1HTT | |
| SCHEMBL23885048 | 0.84 | PKM (0.44) | KMT2AMAPTPKMEPHX1HTT | |
| SCHEMBL8331035 | 0.81 | SMN1; SMN2 (0.45) | KMT2AMAPTHTTMEN1ALDH1A1 | |
| SCHEMBL31210947 | 0.79 | ALOX15 (0.47) | KMT2AMAPTHTTATMMEN1 | |
| SCHEMBL21772127 | 0.77 | SMN1; SMN2 (0.46) | KMT2AMAPTPKMEPHX1HTT | |
| SCHEMBL1282168 | 0.77 | ABCB1 (0.46) | KMT2AMAPTPKMEPHX1HTT | |
| SCHEMBL11855622 | 0.76 | SMN1; SMN2 (0.41) | KMT2AMAPTEPHX1HTTMEN1 | |
| SCHEMBL7953766 | 0.75 | KMT2A (0.53) | KMT2AMAPTPKMEPHX1HTT | |
| SCHEMBL21582154 | 0.75 | ERN1 (0.44) | KMT2AMAPTPKMEPHX1HTT |
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-5929094-A | NOVEL 3-((SUBSTITUTED) HETEROCYCLE),6-(SUBSTITUTED PHENYL)-1-OXASPIRO(4.4)NONANE DERIVATIVES; ANTAGONIZING THE EFFECT OF SUBSTANCE P BY ADMINISTERING TO BLOCK NEUROKININ-1 RECEPTORS; TREATING INFLAMMATION, MIGRAINE, EMESIS AND ASTHMA | MERCK & CO., INC. (US) | 1999-07-27 | — | — | US | disclosed |
| WO-1998017276-A1 | HETEROARYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |