Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7299496 | 1.00 | TDP1 (0.47) | TDP1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL7383121 | 0.89 | TDP1 (0.45) | TDP1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL7298366 | 0.88 | KMT2A (0.45) | TDP1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL7298373 | 0.88 | KMT2A (0.45) | TDP1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL10522272 | 0.87 | KMT2A (0.44) | KMT2AMEN1NPC1RAB9AKDM4E | |
| SCHEMBL7381948 | 0.85 | CYP1A2 (0.46) | KMT2AMEN1NPC1RAB9ACYP1A2 | |
| SCHEMBL7377136 | 0.82 | MEN1 (0.44) | KMT2AMEN1NPC1RAB9ACYP1A2 | |
| SCHEMBL7382129 | 0.82 | FPR2 (0.46) | KMT2AMEN1NPC1RAB9ACYP1A2 | |
| SCHEMBL7386048 | 0.81 | FPR2 (0.48) | KMT2AMEN1NPC1RAB9ACYP1A2 | |
| SCHEMBL7376508 | 0.81 | MEN1 (0.42) | TDP1KMT2AMEN1NPC1RAB9A |
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-4963539-A | TREATING HEART FAILURE, PAIN OR DIARRHEA | E. R. SQUIBB & SONS, INC. (US) | 1990-10-16 | — | — | US | disclosed |
| EP-0306879-A2 | Phosphonate and phosphonamide endopeptidase inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1989-03-15 | — | — | EP | disclosed |