Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL6230805 | 0.83 | CYP2A6 (0.53) | ALDH1A1LMNACYP2A6MAPTHDAC10 | |
| SCHEMBL18936158 | 0.81 | PDK1 (0.34) | ALDH1A1LMNAMAPTHDAC10HDAC11 | |
| SCHEMBL2082067 | 0.80 | CYP2A6 (0.53) | CYP2A6MAPTHDAC10HDAC11HDAC8 | |
| SCHEMBL2082070 | 0.78 | NR4A2 (0.52) | ALDH1A1CYP2A6MAPTHDAC10HDAC11 | |
| SCHEMBL3319697 | 0.77 | HDAC3 (0.57) | ALDH1A1LMNAMAPTHDAC10HDAC11 | |
| SCHEMBL8584887 | 0.75 | CYP2A6 (0.47) | CYP2A6MAPTHDAC10HDAC11HDAC8 | |
| SCHEMBL31182028 | 0.75 | ALDH1A1 (0.53) | ALDH1A1LMNACYP2A6MAPTCA2 | |
| SCHEMBL31182027 | 0.75 | ALDH1A1 (0.53) | ALDH1A1LMNACYP2A6MAPTCA2 | |
| SCHEMBL8584892 | 0.73 | CYP2A6 (0.45) | LMNACYP2A6MAPTHDAC10HDAC11 | |
| SCHEMBL497770 | 0.72 | CYP2A6 (0.44) | ALDH1A1CYP2A6MAPTHDAC10HDAC11 |
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 |
|---|---|---|---|---|---|---|---|
| US-20100117066-A1 | Organic Semiconductors | MERCK PATENT GMBH (DE) | 2010-05-13 | — | — | US | disclosed |
| US-20100117066-A1 | Organic Semiconductors | MERCK PATENT GMBH (DE) | 2010-05-13 | — | — | US | disclosed |
| US-20100117066-A1 | Organic Semiconductors | MERCK PATENT GMBH (DE) | 2010-05-13 | — | — | US | disclosed |
| WO-2008131835-A1 | ORGANIC SEMICONDUCTORS | MERCK PATENT GMBH (DE) | 2008-11-06 | — | — | WO | disclosed |
| US-20040132720-A1 | Piperazine derivatives, their preparation and uses in therapy (5ht1b receptor activity) | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-07-08 | — | — | US | disclosed |
| EP-1368344-A1 | PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USES IN THERAPY (5HT1B RECEPTOR ACTIVITY) | SMITHKLINE BEECHAM PLC (GB) | 2003-12-10 | — | — | EP | disclosed |
| WO-2002074768-A1 | PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USES IN THERAPY (5HT1B RECEPTOR ACTIVITY) | SMITHKLINE BEECHAM PLC (GB) | 2002-09-26 | — | — | 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-20040132720-A1 | Piperazine derivatives, their preparation and uses in therapy (5ht1b receptor activity) | SIGMAR1, HTR6, OPRL1 | ALDH1A1 884/4885LMNA 2234/4885CYP2A6 73/4885 |
| US-20100117066-A1 | Organic Semiconductors | DBF4, DDT, SOAT1 | ALDH1A1 2333/4885LMNA 4664/4885CYP2A6 2529/4885 |
“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.