Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.60 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.60 |
| ▸ | HTR2A | P28223 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.53 |
| ▸ | NAMPT | P43490 | 2/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.41 |
| ▸ | APLNR | P35414 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6943431 | 0.77 | CYP11B1 (0.57) | CYP11B1CYP11B2HTR2AKCNH2AGTR1 | |
| SCHEMBL10834173 | 0.77 | AGTR1 (0.65) | CYP11B1CYP11B2HTR2AKCNH2AGTR1 | |
| SCHEMBL13180189 | 0.77 | KDM4E (0.41) | CYP11B1CYP11B2HTR2AKCNH2RAB9A | |
| SCHEMBL4615611 | 0.76 | HTR6 (0.61) | HTR2AHTR6PSIP1RAB9ATP53 | |
| SCHEMBL22792159 | 0.75 | CA2 (0.55) | HTR2AKCNH2RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL3377180 | 0.74 | PKM (0.59) | CYP11B1CYP11B2AGTR1NAMPTAKR1B1 | |
| SCHEMBL4653156 | 0.74 | AGTR1 (0.57) | CYP11B1CYP11B2HTR2AKCNH2AGTR1 | |
| SCHEMBL22014850 | 0.72 | CA2 (0.44) | CYP11B1CYP11B2HTR2AKCNH2RAB9A | |
| SCHEMBL27347914 | 0.72 | AGTR1 (0.51) | CYP11B1CYP11B2AGTR1NAMPTAKR1B1 | |
| SCHEMBL27733561 | 0.72 | HTR6 (0.55) | HTR2AHTR6PSIP1RAB9ATP53 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000226370-A | PRODUCTION OF 2-ACYLPYRIDINE DERIVATIVE | KURARAY CO LTD | 2000-08-15 | — | — | JP | disclosed |
| WO-2000032605-A1 | BI-PYRROLIDINYLVINL (CARBA) CEPHALOSPORINS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-08 | — | — | WO | disclosed |