Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | AKT2 | P31751 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 2/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2778630 | 0.89 | NPC1 (0.40) | NPC1RAB9AKMT2AKDM4EEPHX2 | |
| SCHEMBL2809872 | 0.88 | TP53 (0.40) | NPC1RAB9AAKT2EPHX2NR1H4 | |
| Hydrochloric Acid SCHEMBL2805730 | 0.88 | AKT2 (0.38) | AKT2EPHX2S1PR1S1PR3BTK | |
| SCHEMBL185133 | 0.83 | CNR2 (0.41) | NPC1RAB9AKDM4EAKT2ALDH1A1 | |
| SCHEMBL13128516 | 0.80 | BDKRB1 (0.48) | NPC1RAB9AEPHX2NR1H4LMNA | |
| SCHEMBL184945 | 0.80 | MT-CO2 (0.43) | NPC1RAB9AKMT2AKDM4EAKT2 | |
| SCHEMBL185836 | 0.79 | KLKB1 (0.46) | KMT2AKDM4EMEN1KLKB1LMNA | |
| SCHEMBL13160176 | 0.78 | BTK (0.33) | NPC1RAB9AKMT2AKDM4EMEN1 | |
| SCHEMBL2779286 | 0.77 | PTGES (0.34) | S1PR1S1PR3BTK | |
| SCHEMBL2809865 | 0.77 | TP53 (0.39) | NPC1RAB9AEPHX2NR1H4LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130131075-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-05-23 | — | — | US | disclosed |
| US-20100240669-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-23 | — | — | 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-20130131075-A1 | NEW COMPOUNDS | ADORA1, H1-10, P2RY11 | NPC1 926/4885RAB9A 347/4885KMT2A 4682/4885 |
| US-20100240669-A1 | NEW COMPOUNDS | ADORA1, H1-10, P2RY11 | NPC1 926/4885RAB9A 347/4885KMT2A 4682/4885 |
“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.