Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 6/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.37 |
| ▸ | AKT2 | P31751 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2809865 | 0.89 | TP53 (0.39) | TP53NR1H4NPC1RAB9ANAMPT | |
| SCHEMBL2808315 | 0.88 | NPC1 (0.41) | NR1H4NPC1RAB9ANAMPTAKT2 | |
| Hydrochloric Acid SCHEMBL2805730 | 0.86 | AKT2 (0.38) | TP53AKT2EPHX2CA1CA2 | |
| SCHEMBL185133 | 0.83 | CNR2 (0.41) | NPC1RAB9AAKT2POLBALDH1A1 | |
| SCHEMBL2805808 | 0.80 | BDKRB1 (0.48) | TP53NR1H4NAMPTPOLBMAPT | |
| SCHEMBL184945 | 0.80 | MT-CO2 (0.43) | NPC1RAB9ANAMPTAKT2POLB | |
| SCHEMBL185509 | 0.80 | P2RX3 (0.43) | TP53POLBMAPTP2RX3ALDH1A1 | |
| SCHEMBL2782059 | 0.79 | BDKRB1 (0.39) | TP53NR1H4NPC1RAB9ANAMPT | |
| SCHEMBL13160172 | 0.78 | TP53 (0.33) | TP53NR1H4NPC1RAB9ANAMPT | |
| SCHEMBL2778630 | 0.77 | NPC1 (0.40) | NR1H4NPC1RAB9ANAMPTMAPT |
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 | TP53 2836/4885NR1H4 116/4885NPC1 926/4885 |
| US-20100240669-A1 | NEW COMPOUNDS | ADORA1, H1-10, P2RY11 | TP53 2836/4885NR1H4 116/4885NPC1 926/4885 |
“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.