Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
| ▸ | PLD2 | O14939 | 1/20 | 0.34 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | HRH1 | P35367 | 3/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | CD69 | Q07108 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30640267 | 1.00 | CYP1A2 (0.39) | CYP1A2SRD5A2MAOAMAOBDAO | |
| SCHEMBL461357 | 0.80 | HDAC8 (0.42) | CYP1A2ALOX15PLD2PLD1KDM4E | |
| SCHEMBL12471893 | 0.77 | ESR2 (0.40) | CYP1A2SRD5A2MAOAMAOBTSHR | |
| SCHEMBL9681128 | 0.77 | ALDH1A1 (0.50) | SRD5A2TSHRALDH1A1SRD5A1CD69 | |
| SCHEMBL31548709 | 0.76 | CYP1A2 (0.33) | CYP1A2ALDH1A1PLD2PLD1KDM4E | |
| SCHEMBL20793908 | 0.72 | HCAR2 (0.43) | ALDH1A1KDM4EMAPTKMT2AL3MBTL1 | |
| Bicarbonate SCHEMBL8601125 | 0.71 | CYP1A2 (0.55) | CYP1A2SRD5A2MAOAMAOBDAO | |
| SCHEMBL325503 | 0.71 | — | — | |
| SCHEMBL1067727 | 0.71 | MAOA (0.59) | CYP1A2SRD5A2MAOAMAOBDAO | |
| SCHEMBL29906826 | 0.71 | MAOA (0.59) | CYP1A2SRD5A2MAOAMAOBDAO |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240096612-A1 | METHOD FOR MASS SPECTROMETRY OF ORGANIC SYNTHETIC COMPOUND | SHIMADZU CORPORATION (JP) | 2024-03-21 | — | — | US | claimed |
| EP-4293350-A1 | METHOD FOR MASS SPECTROMETRY OF ORGANIC SYNTHETIC COMPOUND | Shimadzu Corporation (JP) | 2023-12-20 | — | — | EP | claimed |
| CN-116917726-A | Mass spectrometry of organic synthetic compounds | 株式会社岛津制作所 | 2023-10-20 | — | — | CN | claimed |
| US-20240096612-A1 | METHOD FOR MASS SPECTROMETRY OF ORGANIC SYNTHETIC COMPOUND | SHIMADZU CORPORATION (JP) | 2024-03-21 | — | — | US | disclosed |
| EP-4293350-A1 | METHOD FOR MASS SPECTROMETRY OF ORGANIC SYNTHETIC COMPOUND | Shimadzu Corporation (JP) | 2023-12-20 | — | — | EP | disclosed |
| CN-116917726-A | Mass spectrometry of organic synthetic compounds | 株式会社岛津制作所 | 2023-10-20 | — | — | CN | disclosed |
| WO-2022172500-A1 | METHOD FOR MASS SPECTROMETRY OF ORGANIC SYNTHETIC COMPOUND | 株式会社 島津製作所 | 2022-08-18 | — | — | WO | disclosed |
| EP-3010509-B1 | FREE BASE CRYSTALS | INTRA CELLULAR THERAPIES INC (US) | 2021-07-28 | — | — | EP | disclosed |
| EP-3702358-A1 | PROCESS FOR PREPARING SALTS OF A KNOWN PDE1 INHIBITOR | Intra-Cellular Therapies, Inc. (US) | 2020-09-02 | — | — | EP | disclosed |
| US-9630971-B2 | Free base crystals | INTRA-CELLULAR THERAPIES, INC. (US) | 2017-04-25 | — | — | US | disclosed |
| US-20160145261-A1 | FREE BASE CRYSTALS | INTRA-CELLULAR THERAPIES, INC. (US) | 2016-05-26 | — | — | US | disclosed |
| EP-3010509-A2 | FREE BASE CRYSTALS | Intra-Cellular Therapies, Inc. (US) | 2016-04-27 | — | — | EP | disclosed |
| WO-2014205354-A2 | FREE BASE CRYSTALS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-12-24 | — | — | WO | disclosed |
| EP-1039899-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999032100-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | 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-20160145261-A1 | FREE BASE CRYSTALS | NT5C3B, MTAP, NT5C | CYP1A2 2880/4885SRD5A2 962/4885MAOA 2344/4885 |
“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.