Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | BCAT2 | O15382 | 2/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 4/20 | 0.39 |
| ▸ | HTR2B | P41595 | 4/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL123507 | 0.82 | KMT2A (0.44) | KMT2ACES1BCAT2NR1H2NR1H3 | |
| SCHEMBL30374421 | 0.81 | KMT2A (0.57) | KMT2ANPC1RAB9AALDH1A1RNASEH1 | |
| SCHEMBL149618 | 0.81 | KMT2A (0.57) | KMT2ANPC1RAB9AALDH1A1RNASEH1 | |
| Hydrochloric Acid SCHEMBL30331576 | 0.80 | KMT2A (0.55) | KMT2ANPC1RAB9AALDH1A1RNASEH1 | |
| SCHEMBL24786745 | 0.79 | KMT2A (0.42) | KMT2ACES1BCAT2NR1H2NR1H3 | |
| SCHEMBL15467684 | 0.78 | NR1H2 (0.42) | KMT2ACES1BCAT2NR1H2NR1H3 | |
| SCHEMBL798331 | 0.76 | KMT2A (0.48) | KMT2ACES1BCAT2DRD3CYP2A6 | |
| SCHEMBL29965051 | 0.76 | KMT2A (0.48) | KMT2ACES1BCAT2DRD3CYP2A6 | |
| SCHEMBL21591322 | 0.75 | ACHE (0.49) | DRD1DRD3ACHENPC1RAB9A | |
| Formic Acid SCHEMBL30331996 | 0.75 | KMT2A (0.49) | KMT2ANR1H2NR1H3DRD1NPC1 |
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-8946260-B2 | 17α-hydroxylase/C17,20-lyase inhibitors | NOVARTIS AG (CH) | 2015-02-03 | — | — | US | disclosed |
| US-20140045872-A1 | 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2014-02-13 | — | — | US | disclosed |
| EP-2627648-A1 | 17aHYDROXYLASE/C17,20-LYASE INHIBITORS | Novartis AG (CH) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012035078-A1 | 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2012-03-22 | — | — | 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-20140045872-A1 | 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS | CYP17A1, CYP21A2, HSD17B1 | KMT2A 660/4885CES1 108/4885BCAT2 593/4885 |
“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.