Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21048419 | 0.81 | ALDH1A1 (0.45) | ALDH1A1LMNASMN1; SMN2POLBTSHR | |
| SCHEMBL19822539 | 0.75 | ALDH1A1 (0.62) | ALDH1A1LMNASMN1; SMN2POLBTSHR | |
| SCHEMBL17050984 | 0.72 | NPSR1 (0.43) | ALDH1A1LMNAPOLBTSHRMEN1 | |
| SCHEMBL1330697 | 0.72 | NPSR1 (0.43) | ALDH1A1LMNAPOLBTSHRMEN1 | |
| SCHEMBL19828208 | 0.66 | LTA4H (0.44) | LMNANPSR1MAPTHTTHPGD | |
| SCHEMBL11553770 | 0.65 | NPSR1 (0.41) | POLBTSHRMEN1KMT2ANPSR1 | |
| SCHEMBL29131267 | 0.65 | NPSR1 (0.41) | POLBTSHRMEN1KMT2ANPSR1 | |
| SCHEMBL7305467 | 0.64 | ELANE (0.64) | — | |
| SCHEMBL5119265 | 0.63 | ALOX12 (0.44) | ALDH1A1SMN1; SMN2POLBMEN1KMT2A | |
| SCHEMBL19822546 | 0.63 | TSHR (0.36) | ALDH1A1TSHRMEN1KMT2ANPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-10315990-B2 | Isothiocyanate compounds and isothiocyanate XPO1 protein inhibitor drugs thereof | DRIVINGFORCE THERAPEUTICS (CN) | 2019-06-11 | — | — | US | disclosed |
| US-20180029979-A1 | ISOTHIOCYANATE COMPOUND AND APPLICATION THEREOF | DRIVINGFORCE THERAPEUTICS Co., Ltd. (CN) | 2018-02-01 | — | — | US | disclosed |
| US-20180029979-A1 | ISOTHIOCYANATE COMPOUND AND APPLICATION THEREOF | DRIVINGFORCE THERAPEUTICS Co., Ltd. (CN) | 2018-02-01 | — | — | 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-10315990-B2 | Isothiocyanate compounds and isothiocyanate XPO1 protein inhibitor drugs thereof | XPO1, XPOT, XPO4 | ALDH1A1 3282/4885LMNA 3650/4885SMN1; SMN2 3357/4885 |
| US-20180029979-A1 | ISOTHIOCYANATE COMPOUND AND APPLICATION THEREOF | XPO1, XPOT, XPO4 | ALDH1A1 2991/4885LMNA 4192/4885SMN1; SMN2 3442/4885 |
“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.