Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PCSK7 | Q16549 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27862777 | 0.85 | FFAR1 (0.51) | KMT2ATSHRFFAR1TRPA1GABBR2 | |
| SCHEMBL9556420 | 0.85 | FFAR1 (0.51) | KMT2ATSHRFFAR1TRPA1GABBR2 | |
| SCHEMBL1343883 | 0.85 | FFAR1 (0.51) | KMT2ATSHRFFAR1TRPA1GABBR2 | |
| SCHEMBL13013941 | 0.82 | ALDH1A1 (0.43) | ALDH1A1AKR1C3AKR1C1TSHRKDM4E | |
| SCHEMBL27180729 | 0.82 | FFAR1 (0.48) | KMT2AALDH1A1TSHRFFAR1CYP2C9 | |
| SCHEMBL3055864 | 0.81 | TSHR (0.44) | KMT2AALDH1A1AKR1C3AKR1C1TSHR | |
| SCHEMBL31326025 | 0.81 | TSHR (0.53) | KMT2AALDH1A1TSHRKDM4EMAPT | |
| SCHEMBL6063192 | 0.81 | CYP2C19 (0.47) | KMT2AALDH1A1TSHRTRPA1TDP1 | |
| SCHEMBL10389442 | 0.81 | TSHR (0.44) | KMT2AALDH1A1AKR1C3AKR1C1TSHR | |
| SCHEMBL1754734 | 0.81 | TSHR (0.53) | KMT2AALDH1A1TSHRKDM4EMAPT |
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-4180520-A | FROM UNSATURATED NITRILES REDUCED BY REACTION OF AN ALKANOL AND AN AMMONIUM SALT IN THE PRESENCE OF MAGNESIUM TO PRODUCE USEFUL PESTICIDES INTERMEDIATES | SHELL OIL COMPANY (US) | 1979-12-25 | — | — | US | disclosed |
| US-4132728-A | ALPHA, B-UNSATD NITRILES ARE PREPARED FROM KETONES AND NITRILES | SHELL OIL COMPANY (US) | 1979-01-02 | — | — | US | disclosed |