Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 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 | |
|---|---|---|---|---|
| SCHEMBL6030837 | 0.84 | ALDH1A1 (0.40) | ALDH1A1CYP1A1CYP1B1KMT2ANPC1 | |
| SCHEMBL20925070 | 0.84 | ALDH1A1 (0.40) | ALDH1A1MAPTSMN1; SMN2HTT | |
| SCHEMBL14088888 | 0.84 | ALDH1A1 (0.40) | ALDH1A1KMT2AMAPTCYP1A2CYP3A4 | |
| SCHEMBL13073022 | 0.80 | GRIN2D (0.40) | ALDH1A1PTGS2 | |
| SCHEMBL10054152 | 0.78 | PARP1 (0.51) | KMT2APOLBNPC1MAPTRAB9A | |
| SCHEMBL13690326 | 0.78 | MEN1 (0.47) | KMT2ANPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL3188871 | 0.78 | ALDH1A1 (0.65) | ALDH1A1CYP1A1CYP1B1KMT2APTGS2 | |
| SCHEMBL18433896 | 0.77 | NOS3 (0.37) | ALDH1A1KMT2APOLBCYP1A2CYP2E1 | |
| SCHEMBL5534468 | 0.77 | HTR3E (0.58) | ALDH1A1KMT2APOLBNPC1MAPT | |
| 1,3,5-Trimethoxybenzene SCHEMBL28493 | 0.76 | ALDH1A1 (1.00) | ALDH1A1CYP1A1CYP1B1PTGS2CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8236805-B2 | Substituted piperazines as CB1 antagonists | INTERVET INC. (US) | 2012-08-07 | — | — | US | disclosed |
| US-7700597-B2 | Substituted piperazines as CB1 antagonists | SCHERING CORPORATION (US) | 2010-04-20 | — | — | US | disclosed |
| US-7700597-B2 | Substituted piperazines as CB1 antagonists | SCHERING CORPORATION (US) | 2010-04-20 | — | — | US | disclosed |
| US-20100029607-A1 | Substituted Piperazines as CB1 Antagonists | SCHERING CORPORATION | 2010-02-04 | — | — | US | disclosed |
| US-20080076924-A1 | Piperazines as P2X7 antagonists | ABBOTT LABORATORIES | 2008-03-27 | — | — | 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-20100029607-A1 | Substituted Piperazines as CB1 Antagonists | CNR1, CNR2, GPR119 | ALDH1A1 1520/4885CYP1A1 293/4885CYP1B1 507/4885 |
| US-20080076924-A1 | Piperazines as P2X7 antagonists | P2RX7, P2RX1, P2RX2 | ALDH1A1 852/4885CYP1A1 299/4885CYP1B1 262/4885 |
“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.