Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.42 |
| ▸ | BRS3 | P32247 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12987394 | 0.79 | NPC1 (0.53) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL15040982 | 0.79 | AURKA (0.58) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL23253055 | 0.79 | NPC1 (0.49) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL28408397 | 0.79 | CYP11B1 (0.49) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL2026955 | 0.78 | LDHA (0.52) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL811754 | 0.77 | GRM5 (0.47) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL13750539 | 0.76 | TDO2 (0.46) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL3835184 | 0.75 | NPC1 (0.44) | NPC1RXFP1PTPN1PTPN6PTPN11 | |
| SCHEMBL2845659 | 0.75 | CCR1 (0.60) | NPC1RXFP1CYP11B1CYP11B2AURKA | |
| SCHEMBL2841472 | 0.75 | NPC1 (0.45) | NPC1RXFP1PTPN1PTPN6PTPN11 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2240490-B1 | ORGANIC COMPOUNDS | TAKEDA PHARMACEUTICAL (JP) | 2013-09-04 | — | — | EP | claimed |
| EP-2717877-B1 | ORGANIC COMPOUNDS | INTRA CELLULAR THERAPIES INC (US) | 2017-11-08 | — | — | EP | disclosed |
| US-9403836-B2 | Organic compounds | INTRA-CELLULAR THERAPIES, INC. (US) | 2016-08-02 | — | — | US | disclosed |
| EP-2939676-A1 | Organic compounds | Intra-Cellular Therapies, Inc. (US) | 2015-11-04 | — | — | EP | disclosed |
| US-20140357606-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. | 2014-12-04 | — | — | US | disclosed |
| US-8829008-B2 | Organic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-09-09 | — | — | US | disclosed |
| EP-2698160-A2 | Organic compounds | Takeda Pharmaceutical Company Limited (JP) | 2014-02-19 | — | — | EP | disclosed |
| EP-2240490-B1 | ORGANIC COMPOUNDS | TAKEDA PHARMACEUTICAL (JP) | 2013-09-04 | — | — | EP | disclosed |
| US-8273751-B2 | Organic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-09-25 | — | — | US | disclosed |
| US-20120238589-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. | 2012-09-20 | — | — | US | disclosed |
| US-20100273754-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. | 2010-10-28 | — | — | US | disclosed |
| EP-2240490-A1 | ORGANIC COMPOUNDS | Intra-Cellular Therapies, Inc. (US) | 2010-10-20 | — | — | EP | disclosed |
| WO-2009075784-A1 | ORGANIC COMPOUNDS | INTRA-CELLULAR THERAPIES, INC. (US) | 2009-06-18 | — | — | 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 (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-20100273754-A1 | ORGANIC COMPOUNDS | CYP2C9, CYP2C19, CYP3A7 | NPC1 275/4885RXFP1 4110/4885PTPN1 2220/4885 |
| US-20140357606-A1 | ORGANIC COMPOUNDS | CYP2C9, CYP2C19, CYP3A7 | NPC1 275/4885RXFP1 4110/4885PTPN1 2220/4885 |
| US-20120238589-A1 | ORGANIC COMPOUNDS | CYP2C9, CYP2C19, CYP3A7 | NPC1 275/4885RXFP1 4110/4885PTPN1 2220/4885 |
“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.