Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDYL | Q9Y232 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| SCHEMBL6898869 | 0.79 | MTNR1A (0.49) | CDYLTDP1KDM4ECYP1A2MTNR1A | |
| Acetic Acid SCHEMBL31595475 | 0.76 | TDP1 (0.59) | TDP1CYP1A2SIRT5ATMMTNR1A | |
| SCHEMBL6682789 | 0.75 | FOLH1 (0.53) | L3MBTL1ATMMTNR1A | |
| Oxalic Acid SCHEMBL1922939 | 0.74 | TDP1 (0.61) | TDP1KDM4ECYP1A2ATMMTNR1A | |
| SCHEMBL29484446 | 0.73 | CYP1A2 (0.58) | TDP1KDM4ECYP1A2MTNR1A | |
| SCHEMBL110689 | 0.73 | CYP1A2 (0.58) | TDP1KDM4ECYP1A2MTNR1A | |
| SCHEMBL28016536 | 0.73 | MEN1 (0.61) | L3MBTL1KDM4ELMNAATM | |
| SCHEMBL7749745 | 0.73 | MEN1 (0.61) | TDP1L3MBTL1KDM4ECNR1CNR2 | |
| Bromide SCHEMBL22401521 | 0.72 | CYP1A2 (0.56) | TDP1KDM4ECYP1A2MTNR1A | |
| SCHEMBL20593911 | 0.72 | CYP1A2 (0.56) | TDP1KDM4ECYP1A2MTNR1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1389460-A1 | CXCR4-ANTAGONISTIC DRUGS COMPRISING NITROGEN-CONTAINING COMPOUND | Kureha Chemical Industry Co., Ltd. (JP) | 2004-02-18 | — | — | EP | disclosed |