Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3894497 | 0.97 | CYP2A6 (0.42) | CYP2A6MAPTMEN1KMT2ARAB9A | |
| SCHEMBL10528634 | 0.91 | MAPK1 (0.42) | CYP2A6MAPTMEN1KMT2ARAB9A | |
| O-Xylene SCHEMBL28686404 | 0.85 | RAB9A (0.41) | CYP2A6MAPTMEN1KMT2ARAB9A | |
| SCHEMBL4763549 | 0.84 | CA1 (0.39) | MEN1KMT2AALDH1A1MAPK1CA1 | |
| Toluene SCHEMBL28698834 | 0.83 | ALDH1A1 (0.44) | MAPTMEN1KMT2ARAB9AALDH1A1 | |
| SCHEMBL7688132 | 0.82 | MAPT (0.42) | MAPTMEN1KMT2ARAB9ANPSR1 | |
| SCHEMBL7688488 | 0.82 | LMNA (0.65) | MAPTMEN1KMT2ARAB9ANPSR1 | |
| SCHEMBL6770995 | 0.79 | PREP (0.46) | CYP2A6MAPTMEN1KMT2ARAB9A | |
| SCHEMBL10951164 | 0.78 | CYP2A6 (0.38) | CYP2A6MAPTMEN1KMT2ARAB9A | |
| SCHEMBL8171076 | 0.78 | NCEH1 (0.47) | CYP2A6MAPTMEN1KMT2ARAB9A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120046461-A1 | STEROIDAL ANTI-HORMONE HYBRIDS | NORTHEASTERN UNIVERSITY (US) | 2012-02-23 | — | — | US | disclosed |
| WO-2010085747-A1 | STEROIDAL ANTI-HORMONE HYBRIDS | NORTHEASTERN UNIVERSITY (US) | 2010-07-29 | — | — | WO | disclosed |
| US-5182381-A | Intermediates for 3-keto-19-nor-Δ4,9 -steroids | ROUSSEL ULCAF (FR) | 1993-01-26 | — | — | US | disclosed |
| US-5064822-A | Antiglucocorticoid | ROUSSEL UCLAF (FR) | 1991-11-12 | — | — | US | disclosed |
| US-4540686-A | ANTIPROGESTERONES | ROUSSEL UCLAF (FR) | 1985-09-10 | — | — | US | disclosed |
| US-4477445-A | ANTIGLUCOCORTICOIDS | ROUSSEL UCLAF (FR) | 1984-10-16 | — | — | 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-20120046461-A1 | STEROIDAL ANTI-HORMONE HYBRIDS | ESRRA, ESRRB, NR5A1 | CYP2A6 1793/4885MAPT 4598/4885MEN1 4158/4885 |
“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.