Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15096313 | 0.74 | LDHA (0.38) | LDHATDP1CYP1A2MAPK1CYP2C19 | |
| SCHEMBL28619366 | 0.73 | ALOX15 (0.38) | LDHATDP1CHRM1ADRA1ACYP2C19 | |
| SCHEMBL5916377 | 0.72 | KMT2A (0.50) | LDHATDP1CYP1A2CYP2C19HIF1A | |
| SCHEMBL10301407 | 0.69 | LDHA (0.62) | LDHAHTR2ACYP1A2CYP2C19LMNA | |
| SCHEMBL10925736 | 0.68 | FOLH1 (0.37) | LDHACYP1A2CYP2C19KMT2A | |
| SCHEMBL9197005 | 0.67 | KMT2A (0.60) | LDHACYP1A2CYP2C19KMT2APPARG | |
| SCHEMBL29150788 | 0.67 | ALDH1A1 (0.37) | LDHACYP1A2CA2CYP2C19LMNA | |
| SCHEMBL592418 | 0.65 | KMT2A (0.48) | CYP1A2CYP2C19LMNAHIF1AKMT2A | |
| SCHEMBL14989322 | 0.65 | ALDH1A1 (0.36) | LDHACYP1A2CA2CYP2C19CYP2C9 | |
| SCHEMBL1004361 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1223166-A1 | Linked cyclic polyamines with activity against hiv. | AnorMED Inc. (CA) | 2002-07-17 | — | — | EP | disclosed |
| EP-0619813-A1 | LINKED CYCLIC POLYAMINES WITH ACTIVITY AGAINST HIV | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 1994-10-19 | — | — | EP | disclosed |
| WO-1993012096-A1 | LINKED CYCLIC POLYAMINES WITH ACTIVITY AGAINST HIV | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 1993-06-24 | — | — | WO | disclosed |