Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 4/20 | 0.41 |
| ▸ | CD38 | P28907 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | FPR3 | P25089 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL91338 | 0.84 | P2RX7 (0.37) | P2RX7CD38PKMTAAR1ALDH1A1 | |
| SCHEMBL11891675 | 0.81 | NOS3 (0.40) | P2RX7NOS3NOS2ALDH1A1CYP3A4 | |
| SCHEMBL488564 | 0.81 | P2RX7 (0.40) | P2RX7CD38PKMTAAR1CYP3A4 | |
| SCHEMBL1167603 | 0.81 | P2RX7 (0.43) | P2RX7CD38PKMTAAR1ALDH1A1 | |
| SCHEMBL146651 | 0.81 | P2RX7 (0.40) | P2RX7CD38PKMTAAR1CYP3A4 | |
| SCHEMBL856367 | 0.81 | P2RX7 (0.40) | P2RX7CD38PKMTAAR1ALDH1A1 | |
| SCHEMBL4120436 | 0.80 | TAAR1 (0.36) | P2RX7CD38PKMTAAR1ALDH1A1 | |
| SCHEMBL11888502 | 0.79 | TAAR1 (0.50) | P2RX7CD38TAAR1CYP1A2 | |
| SCHEMBL20326196 | 0.78 | CYP3A4 (0.39) | CYP3A4ALOX15SMN1; SMN2MEN1KMT2A | |
| SCHEMBL21567308 | 0.77 | ALDH1A1 (0.39) | NOS3NOS2ALDH1A1CYP3A4CYP1A2 |
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-20120135975-A1 | Substituted Esters as Cannabinoid-1 Receptor Modulators | MERCK & CO., INC. (US) | 2012-05-31 | — | — | US | disclosed |
| US-20120071461-A1 | Substituted Benzamide Compounds | GRUENENTHAL GMBH (DE) | 2012-03-22 | — | — | US | disclosed |
| US-20080312435-A1 | Imine Compound | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2008-12-18 | — | — | US | disclosed |
| US-7279484-B2 | Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease | AJINOMOTO CO., INC. (JP) | 2007-10-09 | — | — | US | disclosed |
| US-7279484-B2 | Suppress tumor necrosis factor; Crohn's disease; imflammatory bowel disorders; sepsis; autoimmune disease | AJINOMOTO CO., INC. (JP) | 2007-10-09 | — | — | 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 (3 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-20080312435-A1 | Imine Compound | CNR1, CNR2, HRH4 | P2RX7 225/4885CD38 659/4885PKM 3896/4885 |
| US-20120135975-A1 | Substituted Esters as Cannabinoid-1 Receptor Modulators | CNR1, CNR2, FAAH | P2RX7 1478/4885CD38 933/4885PKM 3476/4885 |
| US-20120071461-A1 | Substituted Benzamide Compounds | BDKRB1, BDKRB2, HRH2 | P2RX7 140/4885CD38 540/4885PKM 1255/4885 |
“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.