Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL5268338 | 1.00 | SIGMAR1 (0.42) | SIGMAR1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL5267410 | 0.84 | SIGMAR1 (0.40) | SIGMAR1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL9470012 | 0.84 | ADRA2B (0.53) | SIGMAR1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL1371851 | 0.81 | TSHR (0.45) | SIGMAR1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL1371848 | 0.81 | TSHR (0.45) | SIGMAR1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL4662517 | 0.81 | TSHR (0.45) | SIGMAR1TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL2393243 | 0.81 | MEN1 (0.54) | MEN1KMT2AALDH1A1HPGDL3MBTL1 | |
| SCHEMBL27575238 | 0.78 | KMT2A (0.51) | TSHRMEN1KMT2AALDH1A1SLC6A2 | |
| SCHEMBL19099820 | 0.78 | KMT2A (0.51) | TSHRMEN1KMT2AALDH1A1SLC6A2 | |
| SCHEMBL8378842 | 0.76 | SIGMAR1 (0.41) | SIGMAR1TSHRMEN1KMT2AALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1287006-B1 | ANTITUMORAL COMPOUNDS | PHARMA MAR SA (ES) | 2007-10-24 | — | — | EP | disclosed |
| US-7138547-B2 | Antitumoral compounds | PHARMA MAR, S.A. | 2006-11-21 | — | — | US | disclosed |
| US-20040048834-A1 | Antitumoral compounds | PHARMA MAR, S.A. (ES) | 2004-03-11 | — | — | US | disclosed |
| EP-0796239-B1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (S,S) AMINOEPOXIDES, KEY INTERMEDIATES FOR HIV PROTEASE INHIBITORS, VIA THEIR CHLOROHYDRINES | BOEHRINGER INGELHEIM CA LTD (CA) | 1999-03-31 | — | — | EP | disclosed |
| EP-0796239-A1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (S,S) AMINOEPOXIDES, KEY INTERMEDIATES FOR HIV PROTEASE INHIBITORS, VIA THEIR CHLOROHYDRINES | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 1997-09-24 | — | — | EP | disclosed |
| US-5550291-A | Process for key intermediates for HIV protease inhibitors | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH, INC. (CA) | 1996-08-27 | — | — | US | disclosed |
| WO-1996017821-A1 | PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE (S,S) AMINOEPOXIDES, KEY INTERMEDIATES FOR HIV PROTEASE INHIBITORS, VIA THEIR CHLOROHYDRINES | BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE (CA) | 1996-06-13 | — | — | 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 (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-20040048834-A1 | Antitumoral compounds | HCCS, MSR1, SUCNR1 | SIGMAR1 6/4885TSHR 193/4885MEN1 3148/4885 |
“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.