Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | HTR2A | P28223 | 5/20 | 0.50 |
| ▸ | HTR2C | P28335 | 4/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18615282 | 0.82 | ESR1 (0.48) | ALDH1A1KDM4EMEN1KMT2AHTR2A | |
| SCHEMBL12077352 | 0.76 | ALDH1A1 (0.93) | ALDH1A1KDM4EMEN1KMT2AHTR2A | |
| SCHEMBL2505847 | 0.74 | ALDH1A1 (0.83) | ALDH1A1KDM4EMEN1KMT2AHTR2A | |
| SCHEMBL14145779 | 0.74 | HTR2A (0.41) | ALDH1A1MEN1KMT2AHTR2AHTR2C | |
| SCHEMBL4159760 | 0.73 | ALDH1A1 (1.00) | ALDH1A1KDM4EMEN1KMT2AHTR2A | |
| SCHEMBL7572053 | 0.73 | PKM (0.34) | ALDH1A1KDM4EMEN1KMT2AAPOBEC3G | |
| SCHEMBL24157929 | 0.71 | ESR1 (0.40) | ALDH1A1KDM4EMEN1KMT2ALMNA | |
| SCHEMBL2316644 | 0.70 | MAPT (0.44) | ALDH1A1KDM4EMEN1KMT2AHTR2A | |
| SCHEMBL12077315 | 0.69 | KMT2A (0.59) | ALDH1A1KDM4EMEN1KMT2AHTR2A | |
| SCHEMBL23126460 | 0.69 | ALDH1A1 (0.33) | ALDH1A1APOBEC3GHPGD |
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-8895781-B2 | Transition metal-catalyzed C—H amination using unactivated amines | GEORGETOWN UNIVERSITY (US) | 2014-11-25 | — | — | US | disclosed |
| US-8895781-B2 | Transition metal-catalyzed C—H amination using unactivated amines | GEORGETOWN UNIVERSITY (US) | 2014-11-25 | — | — | US | disclosed |
| US-20110213146-A1 | Transition Metal-Catalyzed C-H Amination Using Unactivated Amines | GEORGETOWN UNIVERSITY (US) | 2011-09-01 | — | — | US | disclosed |
| WO-2010028159-A2 | TRANSITION METAL-CATALYZED C-H AMINATION USING UNACTIVATED AMINES | GEORGETOWN UNIVERSITY (US) | 2010-03-11 | — | — | WO | 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-20110213146-A1 | Transition Metal-Catalyzed C-H Amination Using Unactivated Amines | AOC3, AOC2, MPO | ALDH1A1 2510/4885KDM4E 2335/4885MEN1 966/4885 |
“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.