Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL17295935 | 1.00 | KMT2A (0.47) | KMT2ARAB9ANPC1KCNJ11TDP1 | |
| SCHEMBL9806370 | 0.83 | CYP2C19 (0.56) | KMT2ATDP1CYP3A4TSHRCYP2C19 | |
| SCHEMBL19130800 | 0.83 | CYP2C19 (0.56) | KMT2ATDP1CYP3A4TSHRCYP2C19 | |
| SCHEMBL19130465 | 0.82 | TSHR (0.44) | KMT2ARAB9ANPC1KCNJ11L3MBTL1 | |
| SCHEMBL4191295 | 0.81 | RAB9A (0.45) | KMT2ARAB9ANPC1KCNJ11TDP1 | |
| SCHEMBL17111064 | 0.80 | CYP2C19 (0.44) | KMT2ATDP1POLBCYP3A4TSHR | |
| SCHEMBL28076776 | 0.79 | CASR (0.48) | KMT2ARAB9ANPC1L3MBTL1TSHR | |
| SCHEMBL28076774 | 0.79 | CASR (0.48) | KMT2ARAB9ANPC1L3MBTL1TSHR | |
| SCHEMBL2474399 | 0.78 | RAB9A (0.45) | KMT2ARAB9ANPC1KCNJ11TDP1 | |
| SCHEMBL16549994 | 0.78 | KMT2A (0.44) | KMT2ARAB9ANPC1KCNJ11TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105732249-B | Aryl alcohol compound and escitalopram synthetic method | 中国科学院上海有机化学研究所 | 2019-03-15 | — | — | CN | disclosed |
| US-10196338-B2 | Chiral diamine compounds for the preparation of chiral alcohols and chiral amines | UNIVERSITY COLLEGE DUBLIN (IE) | 2019-02-05 | — | — | US | disclosed |
| 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 (2 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-10196338-B2 | Chiral diamine compounds for the preparation of chiral alcohols and chiral amines | ADH1C, ADH1A, ADH5 | KMT2A 2171/4885RAB9A 2899/4885NPC1 3354/4885 |
| US-20170204036-A1 | CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES | ADH1C, ADH1A, ADH5 | KMT2A 1833/4885RAB9A 3112/4885NPC1 3301/4885 |
“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.