Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.30 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL893312 | 0.90 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19POLB | |
| SCHEMBL4399892 | 0.87 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19POLB | |
| SCHEMBL892850 | 0.83 | CYP3A4 (0.42) | CYP3A4CYP2D6CYP2C9CYP2C19POLB | |
| SCHEMBL9943431 | 0.80 | CYP3A4 (0.40) | CYP3A4CYP2D6CYP2C9CYP2C19POLB | |
| SCHEMBL9943460 | 0.78 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C9CYP2C19POLB | |
| SCHEMBL9943806 | 0.73 | CYP3A4 (0.36) | CYP3A4CYP2D6CYP2C9CYP2C19POLB | |
| SCHEMBL893411 | 0.73 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL893530 | 0.73 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL893063 | 0.72 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL4390638 | 0.71 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2465856-A2 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | claimed |
| US-20140243340-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBVIE INC. (US) | 2014-08-28 | — | — | US | disclosed |
| US-20130131085-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2013-05-23 | — | — | US | disclosed |
| US-20120309762-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2012-12-06 | — | — | US | disclosed |
| EP-2465855-A1 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | disclosed |
| US-20120083490-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2012-04-05 | — | — | US | disclosed |
| US-20080161246-A1 | Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example | ABBOTT LABORATORIES (US) | 2008-07-03 | — | — | US | 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 (5 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-20120083490-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | CYP3A43, CYP3A5, POR | CYP3A4 8/4885CYP2D6 5/4885CYP2C9 11/4885 |
| US-20080161246-A1 | Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example | CYP3A4, CYP3A5, CYP2B6 | CYP3A4 1/4885CYP2D6 7/4885CYP2C9 5/4885 |
| US-20120309762-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | CYP3A43, CYP3A5, POR | CYP3A4 8/4885CYP2D6 5/4885CYP2C9 11/4885 |
| US-20130131085-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | CYP3A43, CYP3A5, POR | CYP3A4 8/4885CYP2D6 5/4885CYP2C9 11/4885 |
| US-20140243340-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | CYP3A43, CYP3A5, POR | CYP3A4 8/4885CYP2D6 5/4885CYP2C9 11/4885 |
“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.