Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6957228 | 0.85 | ABCB11 (0.70) | ABCB11PTGS2SMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL7675690 | 0.84 | PTGS2 (0.73) | ABCB11PTGS2SMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL7685385 | 0.81 | ABCB11 (0.55) | ABCB11PTGS2SMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL7677854 | 0.81 | ABCB11 (0.44) | ABCB11PTGS2SMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL11796850 | 0.80 | ABCB11 (0.56) | ABCB11PTGS2SMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL10886820 | 0.79 | PTGS2 (0.48) | ABCB11PTGS2SMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL11089501 | 0.78 | TDP1 (0.44) | SMN1; SMN2ALDH1A1CYP1A2TSHRTDP1 | |
| SCHEMBL6953688 | 0.77 | SMN1; SMN2 (0.51) | ABCB11PTGS2SMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL10881579 | 0.77 | ABCB11 (0.44) | ABCB11PTGS2SMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL11613193 | 0.77 | PTGS2 (0.68) | ABCB11PTGS2SMN1; SMN2ALDH1A1CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1154996-B1 | AROYL AMINOACYL PYRROLES FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN | ORTHO MCNEIL PHARM INC (US) | 2003-11-05 | — | — | EP | disclosed |
| US-6369228-B2 | ANTICONVULSANTS | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2002-04-09 | — | — | US | disclosed |
| US-20010044452-A1 | Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain | CARSON JOHN R (US) | 2001-11-22 | — | — | US | disclosed |
| US-6191142-B1 | Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2001-02-20 | — | — | US | disclosed |
| US-5332736-A | Anti-convulsant aroyl aminoacylpyrroles | ORTHO PHARMACEUTICAL CORPORATION (US) | 1994-07-26 | — | — | 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 (1 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-20010044452-A1 | Aroyl aminoacyl pyrroles for use in the treatment of neuropathic pain | OPRL1, AADAT, OPRK1 | ABCB11 3932/4885PTGS2 440/4885SMN1; SMN2 1076/4885 |
“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.