Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | AGXT | P21549 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1500773 | 0.94 | TSHR (0.50) | TSHRIDO1ALDH1A1TRPA1PNMT | |
| SCHEMBL4565961 | 0.87 | PTGS2 (0.37) | TSHRIDO1ALDH1A1 | |
| SCHEMBL31540763 | 0.84 | TSHR (0.40) | TSHRIDO1ALDH1A1TRPA1CYP3A4 | |
| SCHEMBL3983596 | 0.84 | TSHR (0.40) | TSHRIDO1ALDH1A1TRPA1L3MBTL1 | |
| SCHEMBL29999249 | 0.84 | TSHR (0.40) | TSHRIDO1ALDH1A1TRPA1L3MBTL1 | |
| SCHEMBL1247139 | 0.83 | TDP1 (0.34) | IDO1ALDH1A1 | |
| SCHEMBL331501 | 0.83 | TRPA1 (0.47) | TSHRALDH1A1TRPA1 | |
| SCHEMBL25077389 | 0.82 | CYP3A4 (0.55) | TSHRIDO1ALDH1A1PNMTCYP3A4 | |
| SCHEMBL334160 | 0.82 | NR1D1 (0.35) | TSHRIDO1 | |
| SCHEMBL857310 | 0.82 | DAO (0.37) | TSHRIDO1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3197500-A1 | IMMUNOCONJUGATES COMPRISING ANTI-HER2 ANTIBODIES AND PYRROLOBENZODIAZEPINES | Genentech, Inc. (US) | 2017-08-02 | — | — | EP | disclosed |
| WO-2016044396-A1 | IMMUNOCONJUGATES COMPRISING ANTI-HER2 ANTIBODIES AND PYRROLOBENZODIAZEPINES | GENENTECH, INC. (US) | 2016-03-24 | — | — | WO | disclosed |
| CN-105307685-A | Pyrrolobenzodiazepines and conjugates thereof | SPIROGEN SARL | 2016-02-03 | — | — | CN | disclosed |
| CN-105142674-A | Pyrrolobenzodiazepines and conjugates thereof | MEDIMMUNE LTD | 2015-12-09 | — | — | CN | disclosed |
| WO-2012020220-A1 | COMPOUNDS | NOVACTA BIOSYSTEMS LIMITED (GB) | 2012-02-16 | — | — | WO | disclosed |
| WO-2012020220-A1 | COMPOUNDS | NOVACTA BIOSYSTEMS LIMITED (GB) | 2012-02-16 | — | — | WO | disclosed |
| US-7612069-B2 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-03 | — | — | US | disclosed |
| US-7273882-B2 | Aminoacetamide acyl guanidines as β-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |
| US-20070015754-A1 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-01-18 | — | — | US | disclosed |
| WO-2007002214-A2 | ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |
| WO-2007002220-A2 | AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |
| US-20060287287-A1 | Aminoacetamide acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2006-12-21 | — | — | 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-20060287287-A1 | Aminoacetamide acyl guanidines as beta-secretase inhibitors | APP, BACE1, BACE2 | TSHR 4211/4885IDO1 2441/4885ALDH1A1 2529/4885 |
| US-20070015754-A1 | Acyl guanidines as beta-secretase inhibitors | BACE1, APP, BACE2 | TSHR 3913/4885IDO1 3885/4885ALDH1A1 2144/4885 |
“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.