Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | PNP | P00491 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL19620522 | 0.83 | KDM4E (0.42) | RAB9AMAPTKDM4EPOLBALDH1A1 | |
| SCHEMBL19620490 | 0.83 | ADK (0.38) | RAB9ASMN1; SMN2NPC1MAPTKDM4E | |
| SCHEMBL19620342 | 0.82 | MDM2 (0.36) | RAB9AMAPTKDM4EPOLBALDH1A1 | |
| SCHEMBL19620540 | 0.81 | MAPT (0.37) | RAB9ASMN1; SMN2MAPTKDM4EPOLB | |
| SCHEMBL19620643 | 0.80 | RAB9A (0.36) | RAB9ASMN1; SMN2NPC1MAPTKDM4E | |
| SCHEMBL16931689 | 0.80 | RAB9A (0.35) | RAB9ASMN1; SMN2NPC1MAPTKDM4E | |
| SCHEMBL19620576 | 0.79 | MAPT (0.36) | RAB9AMAPTKDM4EPOLBALDH1A1 | |
| SCHEMBL19620551 | 0.79 | ALDH1A1 (0.36) | RAB9ANPC1MAPTKDM4EPOLB | |
| SCHEMBL19620524 | 0.79 | POLB (0.38) | RAB9ASMN1; SMN2MAPTKDM4EPOLB | |
| SCHEMBL19620511 | 0.79 | MAPT (0.35) | RAB9ASMN1; SMN2NPC1MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3345596-A2 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2018-07-11 | — | — | EP | disclosed |
| EP-2897607-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2017-11-22 | — | — | EP | disclosed |