Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 6/20 | 0.35 |
| ▸ | CA1 | P00915 | 6/20 | 0.35 |
| ▸ | CA2 | P00918 | 6/20 | 0.35 |
| ▸ | CA9 | Q16790 | 6/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | F13A1 | P00488 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL7973824 | 0.83 | MAOA (0.46) | MAOAMAOBTDP1CA12CA1 | |
| SCHEMBL18087669 | 0.76 | MAOA (0.69) | MAOAMAOBTDP1PAOXCA12 | |
| SCHEMBL10688842 | 0.76 | MAOA (0.69) | MAOAMAOBTDP1PAOXCA12 | |
| SCHEMBL15139545 | 0.74 | MAOA (0.67) | MAOAMAOBTDP1PAOXCA12 | |
| SCHEMBL220281 | 0.74 | TDP1 (0.71) | MAOAMAOBTDP1PAOXCA12 | |
| SCHEMBL1286925 | 0.74 | TDP1 (0.71) | MAOAMAOBTDP1PAOXCA12 | |
| SCHEMBL5866373 | 0.74 | TDP1 (0.71) | MAOAMAOBTDP1PAOXCA12 | |
| SCHEMBL368074 | 0.74 | TDP1 (0.71) | MAOAMAOBTDP1PAOXCA12 | |
| SCHEMBL146037 | 0.74 | TDP1 (0.71) | MAOAMAOBTDP1PAOXCA12 | |
| SCHEMBL989107 | 0.74 | TDP1 (0.71) | MAOAMAOBTDP1PAOXCA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001005748-A1 | OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | MONSANTO COMPANY (US) | 2001-01-25 | — | — | WO | disclosed |