Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.38 |
| ▸ | CA2 | P00918 | 9/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 6/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7368633 | 0.88 | NR1H4 (0.41) | NR1H4 | |
| Hydrochloric Acid SCHEMBL7463042 | 0.83 | F2 (0.38) | CA1CA2LTB4RLTB4R2CA9 | |
| SCHEMBL7360778 | 0.81 | SMN1; SMN2 (0.41) | CA1CA2CA9CA7ALDH1A1 | |
| SCHEMBL7364865 | 0.75 | SMN1; SMN2 (0.39) | CA1CA2CA9CA7ALDH1A1 | |
| SCHEMBL7368089 | 0.75 | F2 (0.48) | — | |
| SCHEMBL7360137 | 0.75 | CA1 (0.36) | CA1CA2LTB4RLTB4R2CA9 | |
| SCHEMBL7363933 | 0.74 | F2 (0.36) | CA1CA2CA9CA7CA12 | |
| Trifluoroacetic Acid SCHEMBL7459292 | 0.74 | F2 (0.44) | ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL7363171 | 0.71 | F2 (0.51) | — | |
| Trifluoroacetic Acid SCHEMBL7454448 | 0.69 | F2 (0.43) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0892780-A1 | M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997030971-A1 | M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-08-28 | — | — | WO | disclosed |