Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR2 | O95136 | 1/20 | 0.46 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.46 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL29029999 | 0.86 | S1PR2 (0.44) | S1PR2S1PR4S1PR3LMNACYP1A2 | |
| SCHEMBL2339352 | 0.83 | S1PR2 (0.50) | S1PR2S1PR4S1PR3LMNACYP1A2 | |
| SCHEMBL9750150 | 0.82 | CYP1A2 (0.47) | CYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL438354 | 0.76 | CYP1A2 (0.47) | LMNACYP1A2CYP3A4GAAALDH1A1 | |
| SCHEMBL7517110 | 0.73 | SLC6A2 (0.52) | S1PR2S1PR4S1PR3LMNACYP1A2 | |
| Carbamic Acid SCHEMBL11335902 | 0.73 | KDM4E (0.51) | LMNACYP1A2CYP3A4GAAALDH1A1 | |
| SCHEMBL6796070 | 0.73 | KDM4E (0.47) | LMNACYP1A2CYP3A4GAAALDH1A1 | |
| SCHEMBL20993625 | 0.73 | CYP1A2 (0.45) | LMNACYP1A2CYP3A4GAAALDH1A1 | |
| SCHEMBL20993622 | 0.73 | CYP1A2 (0.45) | LMNACYP1A2CYP3A4GAAALDH1A1 | |
| SCHEMBL2656952 | 0.73 | CYP1A2 (0.45) | LMNACYP1A2CYP3A4GAAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103922998-A | Heterodimers Of Glutamic Acid | MOLECULAR INSIGHT PHARM INC | 2014-07-16 | — | — | CN | disclosed |
| CN-101778910-B | Heterodimers of glutamic acid | MOLECULAR INSIGHT PHARM INC | 2014-05-28 | — | — | CN | disclosed |