Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | NFKBIA | P25963 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4706817 | 0.83 | CCR2 (0.38) | KDM4EPKMPTGS1PTGS2 | |
| SCHEMBL4707384 | 0.82 | NFKBIA (0.46) | ALDH1A1TSHRGAAKDM4ENPC1 | |
| SCHEMBL4204317 | 0.81 | TSHR (0.41) | ALDH1A1TSHRGAAKDM4ENPC1 | |
| SCHEMBL4708756 | 0.81 | KDM4E (0.41) | ALDH1A1TSHRGAAKDM4ENPC1 | |
| Hydrochloric Acid SCHEMBL4709828 | 0.80 | PRF1 (0.39) | NPC1HPGDTP53PTGS1PTGS2 | |
| SCHEMBL4707534 | 0.78 | PKM (0.44) | ALDH1A1GAAKDM4ENPC1PKM | |
| SCHEMBL4706182 | 0.78 | NPC1 (0.47) | ALDH1A1GAANPC1HPGDPKM | |
| SCHEMBL4707955 | 0.76 | PKM (0.53) | ALDH1A1GAAKDM4ENPC1PKM | |
| SCHEMBL4707576 | 0.76 | NPC1 (0.45) | ALDH1A1GAAKDM4ENPC1PKM | |
| SCHEMBL4710745 | 0.75 | GAA (0.38) | ALDH1A1TSHRGAACYP3A4CYP2D6 |
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-1879877-A2 | ANTIMICROBIAL AGENTS | Ranbaxy Laboratories Limited (IN) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006117762-A2 | ANTIMICROBIAL AGENTS | RANBAXY LABORATORIES LIMITED (IN) | 2006-11-09 | — | — | WO | disclosed |