Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | QPCT | Q16769 | 1/20 | 0.44 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.44 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28129581 | 0.82 | CA12 (0.47) | CA12CA1CA2CA9CYP2C19 | |
| SCHEMBL4152685 | 0.81 | LOXL2 (0.46) | LOXL2CYP2C19CYP1A2POLBCYP2D6 | |
| SCHEMBL19160331 | 0.80 | TP53 (0.50) | CA12CA1CA2CA9CYP2C19 | |
| SCHEMBL1733332 | 0.80 | CYP2C19 (0.50) | CA12CA1CA2CA9CYP2C19 | |
| SCHEMBL1680294 | 0.79 | NPC1 (0.58) | CYP11B1CYP11B2TAAR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5341374 | 0.78 | CA12 (0.51) | CA12CA1CA2CA9CYP2C19 | |
| SCHEMBL27889596 | 0.77 | TDP1 (0.54) | CA12CA1CA2CA9CYP2C19 | |
| SCHEMBL1234635 | 0.77 | CYP2C19 (0.44) | CA12CA1CA2CA9CYP2C19 | |
| SCHEMBL28125757 | 0.77 | CYP19A1 (0.46) | CA12CA1CA2CA9CYP2C19 | |
| SCHEMBL9435256 | 0.77 | CYP2C19 (0.47) | CA12CA1CA2CA9CYP2C19 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108602823-A | As deubiquitinating enzymes（DUB）The spiral shell of inhibitor-condensation pyrrolidin derivatives | 特殊治疗有限公司 | 2018-09-28 | — | — | CN | disclosed |
| CN-107108625-A | Spirocyclic derivatives | 克罗诺斯治疗有限公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-107001318-A | N- (hetero) aryl-substituted heterocyclic derivatives useful for the treatment of diseases or disorders associated with the central nervous system | 克罗诺斯治疗有限公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-107001367-A | 2- [ bis (4-fluorophenyl) methyl ] -2, 7-diazaspiro [4.5] decan-10-one derivatives and related compounds as inhibitors of human Dopamine Active Transporter (DAT) protein for the treatment of e.g. Attention Deficit Disorder (ADD) | 克罗诺斯治疗有限公司 | 2017-08-01 | — | — | CN | disclosed |
| US-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | NAKAMOTO KAZUTAKA | 2011-08-11 | — | — | US | disclosed |
| US-7932272-B2 | Antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-04-26 | — | — | US | disclosed |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-09-10 | — | — | US | disclosed |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-05-10 | — | — | US | disclosed |
| EP-1782811-A1 | NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2007-05-09 | — | — | EP | disclosed |
| EP-1669348-A1 | NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND | Eisai Co., Ltd. (JP) | 2006-06-14 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | ERG28, CYP51A1, XPO1 | LOXL2 1131/4885CA12 3722/4885CA1 4228/4885 |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | XPO1, THPO, G6PD | LOXL2 3565/4885CA12 4304/4885CA1 3740/4885 |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | ERG28, DPM1, CYP51A1 | LOXL2 1401/4885CA12 3736/4885CA1 4114/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.