Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2600461 | 0.81 | CA12 (0.40) | TAAR1ALDH1A1MEN1KMT2AUSP2 | |
| SCHEMBL17904315 | 0.68 | — | — | |
| SCHEMBL18181596 | 0.68 | — | — | |
| SCHEMBL2600453 | 0.68 | CYP2A6 (0.42) | ALDH1A1 | |
| Diethylaniline SCHEMBL17594 | 0.68 | TSHR (0.70) | TAAR1TSHRALDH1A1TDP1MEN1 | |
| Diethylaniline SCHEMBL9000098 | 0.68 | TSHR (0.70) | TAAR1TSHRALDH1A1TDP1MEN1 | |
| SCHEMBL1060074 | 0.67 | TAAR1 (0.55) | TAAR1TSHRALDH1A1TDP1MEN1 | |
| SCHEMBL2600456 | 0.67 | CES2 (0.30) | — | |
| Diethylaniline SCHEMBL28201804 | 0.66 | TSHR (0.61) | TAAR1TSHRALDH1A1TDP1MEN1 | |
| SCHEMBL6601248 | 0.66 | TSHR (0.52) | TAAR1TSHRALDH1A1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163944-B2 | Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions | UNIVERSITY OF MARYLAND COLLEGE PARK (US) | 2012-04-24 | — | — | US | disclosed |
| US-8163944-B2 | Allylic oxidations catalyzed by dirhodium catalysts under aqueous conditions | UNIVERSITY OF MARYLAND COLLEGE PARK (US) | 2012-04-24 | — | — | US | disclosed |
| US-20090093638-A1 | Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2009-04-09 | — | — | US | disclosed |
| US-20090093638-A1 | Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions | UNIVERSITY OF MARYLAND, COLLEGE PARK (US) | 2009-04-09 | — | — | 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-20090093638-A1 | Allylic Oxidations Catalyzed by Dirhodium Catalysts under Aqueous Conditions | CYP11B2, DHCR7, ZDHHC7 | TAAR1 2336/4885TSHR 3410/4885ALDH1A1 530/4885 |
“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.