Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CCKAR | P32238 | 1/20 | 0.37 |
| ▸ | CCKBR | P32239 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL7708144 | 0.92 | PARP1 (0.42) | PARP1TP53TSHRSMYD3KMT2A | |
| SCHEMBL7713338 | 0.92 | PARP1 (0.42) | PARP1TP53POLBSMN1; SMN2TSHR | |
| SCHEMBL7713374 | 0.92 | PARP1 (0.50) | PARP1TP53SMN1; SMN2TSHRKMT2A | |
| SCHEMBL7711371 | 0.91 | PARP1 (0.41) | PARP1TP53SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL7708029 | 0.90 | PARP1 (0.41) | PARP1TP53SMN1; SMN2TSHRSMYD3 | |
| SCHEMBL7095640 | 0.90 | ALDH1A1 (0.37) | USP2GAATP53POLBSMN1; SMN2 | |
| SCHEMBL7708221 | 0.90 | PARP1 (0.40) | PARP1TP53SMN1; SMN2TSHRSMYD3 | |
| SCHEMBL7713423 | 0.89 | PARP1 (0.41) | PARP1TP53POLBSMN1; SMN2TSHR | |
| SCHEMBL7710382 | 0.88 | PARP1 (0.40) | PARP1GAAPOLBSMN1; SMN2SMYD3 | |
| SCHEMBL7713251 | 0.86 | CTSS (0.45) | PARP1TP53POLBSMN1; SMN2TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |