Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.54 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.53 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.53 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.50 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.50 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL14535420 | 1.00 | ALDH1A1 (0.59) | ALDH1A1LMNAKDM4EHPGDTSHR | |
| SCHEMBL14224491 | 0.87 | RIPK1 (0.62) | ALDH1A1LMNAPOLBSMN1; SMN2EPHX2 | |
| SCHEMBL6857593 | 0.87 | SMN1; SMN2 (0.64) | ALDH1A1LMNAPOLBSMN1; SMN2HTT | |
| SCHEMBL14224547 | 0.87 | RIPK1 (0.62) | ALDH1A1LMNAPOLBSMN1; SMN2EPHX2 | |
| SCHEMBL13947719 | 0.86 | ALDH1A1 (0.56) | ALDH1A1LMNAKDM4EHPGDTSHR | |
| SCHEMBL3370482 | 0.85 | ALDH1A1 (0.63) | ALDH1A1LMNAKDM4EHPGDTSHR | |
| SCHEMBL15093820 | 0.85 | EPHX2 (0.65) | ALDH1A1LMNAKDM4EHPGDTSHR | |
| SCHEMBL2022347 | 0.85 | ALDH1A1 (0.63) | ALDH1A1LMNAKDM4EHPGDTSHR | |
| SCHEMBL3376152 | 0.85 | ALDH1A1 (0.63) | ALDH1A1LMNAKDM4EHPGDTSHR | |
| SCHEMBL16901651 | 0.84 | ROCK1 (0.51) | ALDH1A1LMNAKDM4EHPGDTSHR |
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-9616064-B2 | Rho kinase inhibitors and methods of use | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2017-04-11 | — | — | US | disclosed |
| CN-106324153-A | Method for measuring content and optical purity of amino acid-N-formic anhydride | 深圳翰宇药业股份有限公司 | 2017-01-11 | — | — | CN | disclosed |
| US-8809338-B2 | 1,2,3-triazole-based peptidomimetic integrin inhibitors for the diagnosis and therapy of tumors | UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) | 2014-08-19 | — | — | US | disclosed |
| US-20130040964-A1 | 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS | UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) | 2013-02-14 | — | — | 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-20130040964-A1 | 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS | ICAM1, ITGB3, VCAM1 | ALDH1A1 368/4885LMNA 4608/4885KDM4E 3844/4885 |
“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.