Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | MC5R | P33032 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL1247974 | 0.82 | CYP2D6 (0.46) | CYP1A2CYP2A6KMT2ACYP2D6NFKB1 | |
| SCHEMBL7819517 | 0.82 | DAO (0.50) | SIGMAR1CYP1A2HRH3CYP2D6 | |
| SCHEMBL14021496 | 0.79 | CYSLTR2 (0.47) | — | |
| SCHEMBL30746339 | 0.79 | SIGMAR1 (0.68) | SIGMAR1CYP1A2HDAC1HDAC8CYP2A6 | |
| SCHEMBL14021849 | 0.77 | RAB9A (0.50) | KMT2A | |
| SCHEMBL10420741 | 0.76 | CYSLTR1 (0.64) | — | |
| SCHEMBL5026313 | 0.76 | IGF1R (0.39) | HDAC1HDAC8TAAR1 | |
| SCHEMBL9057541 | 0.76 | MAOB (0.44) | SIGMAR1KMT2A | |
| SCHEMBL30418669 | 0.75 | SIGMAR1 (0.68) | SIGMAR1CYP1A2HDAC1HDAC8CYP2A6 | |
| SCHEMBL3872946 | 0.75 | ALDH1A1 (0.33) | — |
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-20180148401-A1 | Compounds and Methods of Use Thereof for Treating Tumors | GEORGETOWN UNIVERSITY | 2018-05-31 | — | — | US | disclosed |
| US-9695108-B2 | Compounds and methods of use thereof for treating tumors | GEORGETOWN UNIVERSITY (US) | 2017-07-04 | — | — | US | disclosed |
| US-20150344440-A1 | Compounds and Methods of Use Thereof for Treating Tumors | GEORGETOWN UNIVERSITY | 2015-12-03 | — | — | US | disclosed |
| WO-2014032019-A2 | COMPOUNDS AND METHODS OF USE THEREOF FOR TREATING TUMORS | GEORGETOWN UNIVERSITY (US) | 2014-02-27 | — | — | 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 (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-20150344440-A1 | Compounds and Methods of Use Thereof for Treating Tumors | VHL, TP53, RHOA | SIGMAR1 4148/4885CYP1A2 4173/4885HDAC1 630/4885 |
| US-20180148401-A1 | Compounds and Methods of Use Thereof for Treating Tumors | VHL, TP53, RHOA | SIGMAR1 4148/4885CYP1A2 4173/4885HDAC1 630/4885 |
“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.