Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY12 | Q9H244 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TET3 | O43151 | 1/20 | 0.39 |
| ▸ | FBXL19 | Q6PCT2 | 1/20 | 0.39 |
| ▸ | CXXC5 | Q7LFL8 | 1/20 | 0.39 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.39 |
| ▸ | CXXC4 | Q9H2H0 | 1/20 | 0.39 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14794998 | 0.76 | POLB (0.54) | POLBSMN1; SMN2KMT2AHPGDALDH1A1 | |
| SCHEMBL30965769 | 0.74 | POLB (0.56) | POLBHRH1CCR3KCNH2ENPP1 | |
| SCHEMBL29178285 | 0.72 | CA12 (0.58) | P2RY12POLBRAB9ASMN1; SMN2KMT2A | |
| SCHEMBL21640727 | 0.71 | HPGD (0.57) | SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL27781170 | 0.69 | ENPP1 (0.41) | SMN1; SMN2ENPP1PTGS1PTGS2KDM4E | |
| SCHEMBL29178269 | 0.68 | NPC1 (0.59) | POLBRAB9ASMN1; SMN2KMT2ACYP2C9 | |
| SCHEMBL29178289 | 0.68 | SMN1; SMN2 (0.57) | P2RY12SMN1; SMN2KMT2AKDM4EHPGD | |
| SCHEMBL6012074 | 0.66 | CA2 (0.60) | CYP2C9PTGS1PTGS2KDM4EHPGD | |
| SCHEMBL10931933 | 0.66 | CA2 (0.60) | KMT2APTGS1PTGS2KDM4EHPGD | |
| SCHEMBL453442 | 0.66 | CA2 (0.60) | KMT2APTGS1PTGS2KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2895482-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-07-22 | — | — | EP | disclosed |
| WO-2014043019-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-03-20 | — | — | WO | disclosed |