Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | FNTA | P49354 | 2/20 | 0.43 |
| ▸ | FNTB | P49356 | 2/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.43 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14408200 | 0.75 | CHRNB2 (0.45) | CYP3A4KDM4EALDH1A1 | |
| SCHEMBL12744595 | 0.69 | CHRNB2 (0.63) | NAPRTFNTAFNTBTNKSPARP1 | |
| SCHEMBL31328333 | 0.68 | KDM4E (0.61) | NAPRTFNTAFNTBTNKSPARP1 | |
| SCHEMBL26126730 | 0.68 | KDM4E (0.61) | NAPRTFNTAFNTBTNKSPARP1 | |
| SCHEMBL26126727 | 0.68 | KDM4E (0.61) | NAPRTFNTAFNTBTNKSPARP1 | |
| SCHEMBL13272435 | 0.68 | NAPRT (0.47) | NAPRTFNTAFNTBTNKSPARP1 | |
| SCHEMBL26124410 | 0.68 | ALDH1A1 (0.48) | NAPRTFNTAFNTBTNKSPARP1 | |
| SCHEMBL30522511 | 0.68 | FNTA (0.65) | NAPRTFNTAFNTBCYP1A2CYP3A4 | |
| SCHEMBL21835176 | 0.68 | FNTA (0.65) | NAPRTFNTAFNTBCYP1A2CYP3A4 | |
| SCHEMBL30874798 | 0.68 | VNN1 (0.62) | NAPRTFNTAFNTBTNKSPARP1 |
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-7265115-B2 | Diazabicyclic CNS active agents | ABBOTT LABORATORIES (US) | 2007-09-04 | — | — | US | disclosed |