Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | NOS3 | P29474 | 2/20 | 0.50 |
| ▸ | NOS1 | P29475 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL27282130 | 0.91 | TSHR (0.70) | TSHRNOS3NOS1ALDH1A1MAPT | |
| Benzonitrile SCHEMBL27388743 | 0.91 | TSHR (0.70) | TSHRNOS3NOS1ALDH1A1MAPT | |
| Benzonitrile SCHEMBL27601363 | 0.91 | TSHR (0.70) | TSHRNOS3NOS1ALDH1A1MAPT | |
| Benzonitrile SCHEMBL15822038 | 0.91 | TSHR (0.70) | TSHRNOS3NOS1ALDH1A1MAPT | |
| Benzonitrile SCHEMBL8138478 | 0.91 | TSHR (0.70) | TSHRNOS3NOS1ALDH1A1MAPT | |
| Benzonitrile SCHEMBL27594982 | 0.91 | TSHR (0.70) | TSHRNOS3NOS1ALDH1A1MAPT | |
| Benzonitrile SCHEMBL7379370 | 0.91 | TSHR (0.70) | TSHRNOS3NOS1ALDH1A1MAPT | |
| Benzonitrile SCHEMBL27833450 | 0.88 | TSHR (0.67) | TSHRNOS3NOS1ALDH1A1MAPT | |
| Benzonitrile SCHEMBL27666755 | 0.88 | TSHR (0.67) | TSHRNOS3NOS1ALDH1A1MAPT | |
| Benzonitrile SCHEMBL20975411 | 0.86 | TSHR (0.64) | TSHRNOS3NOS1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-101490014-B | A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles | SANOFI-AVENTIS (FR) | 2011-12-14 | — | — | CN | disclosed |
| CN-101490014-A | A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles | SANOFI AVENTIS (FR) | 2009-07-22 | — | — | CN | disclosed |