Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.58 |
| ▸ | DPP4 | P27487 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3590805 | 0.84 | DPP4 (0.55) | KMT2ADPP4NPC1HPGDSMN1; SMN2 | |
| SCHEMBL17515839 | 0.84 | DPP4 (0.55) | KMT2ADPP4NPC1HPGDSMN1; SMN2 | |
| SCHEMBL26199843 | 0.84 | KMT2A (0.55) | KMT2ADPP4NPC1HPGDSMN1; SMN2 | |
| SCHEMBL4102495 | 0.80 | ALDH1A1 (0.57) | KMT2ADPP4NPC1HPGDSMN1; SMN2 | |
| SCHEMBL17515841 | 0.80 | JAK3 (0.49) | KMT2ADPP4NPC1HPGDSMN1; SMN2 | |
| SCHEMBL2329487 | 0.80 | KMT2A (0.54) | KMT2ADPP4NPC1HPGDSMN1; SMN2 | |
| SCHEMBL12009779 | 0.78 | KMT2A (0.53) | KMT2ADPP4NPC1HPGDSMN1; SMN2 | |
| SCHEMBL10192649 | 0.78 | KMT2A (0.49) | KMT2ADPP4NPC1HPGDSMN1; SMN2 | |
| SCHEMBL11913605 | 0.77 | KMT2A (0.51) | KMT2ADPP4NPC1HPGDSMN1; SMN2 | |
| SCHEMBL15317932 | 0.77 | KMT2A (0.51) | KMT2ADPP4NPC1HPGDSMN1; SMN2 |
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-7893079-B2 | Substituted monocyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-02-22 | — | — | US | disclosed |
| CN-101443323-A | Substituted spirocyclic CGRP receptor antagonists | MERCK & CO INC (US) | 2009-05-27 | — | — | CN | disclosed |