Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | USP8 | P40818 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL830046 | 0.84 | CYP19A1 (0.54) | CYP19A1CYP2A6CYP11B1CYP11B2KDM4E | |
| SCHEMBL10112350 | 0.82 | CYP19A1 (0.52) | CYP19A1CYP2A6CYP11B1CYP11B2KDM4E | |
| SCHEMBL10112343 | 0.81 | RAB9A (0.49) | KDM4EMAPTALDH1A1CYP3A4MEN1 | |
| SCHEMBL10112351 | 0.80 | CYP2A6 (0.57) | CYP19A1CYP2A6ALDH1A1CYP3A4MEN1 | |
| SCHEMBL10112372 | 0.78 | NPC1 (0.47) | CYP19A1CYP2A6CYP11B1CYP11B2KDM4E | |
| SCHEMBL24941653 | 0.76 | CYP19A1 (0.59) | CYP19A1CYP2A6CYP11B1CYP11B2KDM4E | |
| SCHEMBL106812 | 0.76 | CYP2A6 (0.61) | CYP19A1CYP2A6MAPTALDH1A1CYP3A4 | |
| SCHEMBL24871232 | 0.73 | CYP2A6 (0.57) | CYP19A1CYP2A6CYP11B1CYP11B2KDM4E | |
| SCHEMBL14849905 | 0.73 | CYP19A1 (0.74) | CYP19A1CYP2A6CYP11B1CYP11B2KDM4E | |
| SCHEMBL24871111 | 0.73 | CYP2A6 (0.68) | CYP19A1CYP2A6CYP11B1CYP11B2KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8541572-B2 | Compounds for the treatment of inflammatory disorders | MERCK SHARP & DOHME CORP. (US) | 2013-09-24 | — | — | US | disclosed |
| US-20120010181-A1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | MERCK SHARP & DOHME CORP. | 2012-01-12 | — | — | 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-20120010181-A1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | TNF, ADAMTS1, ADAMTS7 | CYP19A1 452/4885CYP2A6 991/4885CYP11B1 340/4885 |
“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.