Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | C1S | P09871 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ALPG | P10696 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8321303 | 0.79 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL7109724 | 0.79 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL17134067 | 0.79 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL14243296 | 0.78 | CES2 (0.47) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL3725357 | 0.77 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL28127816 | 0.77 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL2615559 | 0.76 | G6PC1 (0.57) | NPC1RAB9ASMN1; SMN2CYP1A2L3MBTL1 | |
| SCHEMBL7373897 | 0.76 | G6PC1 (0.57) | NPC1RAB9ASMN1; SMN2CYP1A2L3MBTL1 | |
| SCHEMBL14667522 | 0.76 | G6PC1 (0.57) | NPC1RAB9ASMN1; SMN2CYP1A2L3MBTL1 | |
| SCHEMBL6815084 | 0.74 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 |
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-3152211-A1 | PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | ViiV Healthcare UK (No.5) Limited (GB) | 2017-04-12 | — | — | EP | disclosed |
| WO-2015123182-A1 | PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-20 | — | — | WO | disclosed |