Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL12238616 | 1.00 | TSHR (0.50) | TSHRCYP19A1KMT2AMEN1ALDH1A1 | |
| SCHEMBL17775052 | 0.90 | MEN1 (0.40) | TSHRKMT2AMEN1ALDH1A1TDP1 | |
| SCHEMBL12238630 | 0.83 | MEN1 (0.36) | TSHRKMT2AMEN1ALDH1A1TDP1 | |
| SCHEMBL18905278 | 0.81 | MEN1 (0.34) | TSHRKMT2AMEN1HPGDLMNA | |
| SCHEMBL706386 | 0.79 | APP (0.35) | TSHRKMT2AMEN1HPGDLMNA | |
| SCHEMBL22928607 | 0.79 | MEN1 (0.37) | TSHRCYP19A1KMT2AMEN1ALDH1A1 | |
| SCHEMBL12238642 | 0.79 | KMT2A (0.60) | TSHRCYP19A1KMT2AMEN1ALDH1A1 | |
| SCHEMBL3959121 | 0.78 | CYP2D6 (0.47) | KMT2AMEN1ALDH1A1MAPTCYP3A4 | |
| SCHEMBL12884227 | 0.78 | CYP2D6 (0.47) | KMT2AMEN1ALDH1A1MAPTCYP3A4 | |
| SCHEMBL28378957 | 0.78 | TSHR (0.46) | TSHRCYP19A1KMT2AMEN1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170204036-A1 | CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES | UNIVERSITY COLLEGE DUBLIN (IE) | 2017-07-20 | — | — | 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-20170204036-A1 | CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES | ADH1C, ADH1A, ADH5 | TSHR 614/4885CYP19A1 1367/4885KMT2A 1833/4885 |
“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.