Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.46 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.46 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL22230736 | 1.00 | CYP2D6 (0.48) | CYP2D6TSHRENPP3ENPP1ENPP2 | |
| SCHEMBL4522264 | 1.00 | CYP2D6 (0.48) | CYP2D6TSHRENPP3ENPP1ENPP2 | |
| SCHEMBL4522270 | 1.00 | CYP2D6 (0.48) | CYP2D6TSHRENPP3ENPP1ENPP2 | |
| SCHEMBL10452485 | 0.92 | CYP2D6 (0.50) | CYP2D6TSHRENPP3ENPP1ENPP2 | |
| SCHEMBL10452486 | 0.92 | CYP2D6 (0.50) | CYP2D6TSHRENPP3ENPP1ENPP2 | |
| SCHEMBL10452488 | 0.92 | CYP2D6 (0.50) | CYP2D6TSHRENPP3ENPP1ENPP2 | |
| SCHEMBL401342 | 0.88 | CYP2D6 (0.50) | CYP2D6TSHRENPP3ENPP1ENPP2 | |
| SCHEMBL25544479 | 0.88 | CYP2D6 (0.50) | CYP2D6TSHRENPP3ENPP1ENPP2 | |
| SCHEMBL401343 | 0.88 | CYP2D6 (0.50) | CYP2D6TSHRENPP3ENPP1ENPP2 | |
| SCHEMBL28896946 | 0.87 | TSHR (0.59) | CYP2D6TSHRENPP3ENPP1ENPP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7498460-B2 | Isophthalic acid derivatives | BAYER HEALTHCARE AG (DE) | 2009-03-03 | — | — | US | disclosed |
| US-20080176898-A1 | Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate | BAYER HEALTHCARE AG (DE) | 2008-07-24 | — | — | US | disclosed |
| US-20060154912-A1 | Isophtalic acid derivatives | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2006-07-13 | — | — | 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 (2 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-20080176898-A1 | Leukotriene antagonists; cardiovascular disorders like unstable angina pectoris or myocardial infarction; Methyl 1-{[5-(ethoxycarbonyl)-2-(3-{4-[(4-isopropoxybenzyl)oxy]phenyl}propoxy)phenyl]-acetyl}piperidine-4-carboxylate | LTC4S, LTB4R2, LTB4R | CYP2D6 2151/4885TSHR 4051/4885ENPP3 360/4885 |
| US-20060154912-A1 | Isophtalic acid derivatives | VHL, FABP3, CPT1A | CYP2D6 65/4885TSHR 2943/4885ENPP3 1367/4885 |
“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.