Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.44 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | 0.90 | SMN1; SMN2 (0.50) | SMN1; SMN2KMT2AMEN1MAPTLMNA | |
| SCHEMBL10882422 | 0.89 | SMN1; SMN2 (0.51) | SMN1; SMN2KMT2AMEN1TDP1MAPT | |
| SCHEMBL753880 | 0.84 | MEN1 (0.41) | SMN1; SMN2KMT2AMEN1TDP1CXCR1 | |
| SCHEMBL31171018 | 0.81 | SMN1; SMN2 (0.45) | SMN1; SMN2KMT2AMEN1TDP1MAPT | |
| SCHEMBL8334546 | 0.81 | KMT2A (0.52) | SMN1; SMN2KMT2AMEN1MAPTLMNA | |
| SCHEMBL11855622 | 0.80 | SMN1; SMN2 (0.41) | SMN1; SMN2KMT2AMEN1MAPTLMNA | |
| SCHEMBL30482618 | 0.77 | L3MBTL1 (0.57) | SMN1; SMN2KMT2AMEN1MAPTLMNA | |
| SCHEMBL25422900 | 0.76 | KMT2A (0.44) | SMN1; SMN2KMT2AMEN1MAPTLMNA | |
| SCHEMBL28346418 | 0.75 | MAPT (0.44) | SMN1; SMN2KMT2AMEN1MAPTLMNA | |
| SCHEMBL3597390 | 0.75 | SMN1; SMN2 (0.51) | SMN1; SMN2KMT2AMEN1TDP1MAPT |
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 |