Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 5/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8660405 | 0.85 | ALDH1A1 (0.44) | ALDH1A1HPGDGRIA1CACNG8CYP2D6 | |
| SCHEMBL16952334 | 0.80 | GABRA1 (0.38) | ALDH1A1CYP2D6P2RX7SLC6A4PNMT | |
| SCHEMBL29763190 | 0.79 | PNMT (0.56) | ALDH1A1HPGDGRIA1CACNG8CYP2D6 | |
| SCHEMBL3792645 | 0.79 | ESR1 (0.41) | ALDH1A1HPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL310847 | 0.79 | PNMT (0.56) | ALDH1A1HPGDGRIA1CACNG8CYP2D6 | |
| Water SCHEMBL28641184 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL31426960 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL102904 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL28380698 | 0.78 | ALDH1A1 (0.45) | ALDH1A1HPGDGRIA1CACNG8MEN1 | |
| SCHEMBL8763095 | 0.78 | ALDH1A1 (0.39) | ALDH1A1HPGDGRIA1CACNG8MEN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6838478-B2 | Amino acid derivatives and their use as thrombin inhibitors | ASTRAZENECA AB (SE) | 2005-01-04 | — | — | US | disclosed |
| CN-1129604-C | Amino acid derivatives and their use as thrombin inhibitors | ASTRA AB (SE) | 2003-12-03 | — | — | CN | disclosed |
| EP-0910573-B1 | NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRAZENECA AB (SE) | 2003-01-29 | — | — | EP | disclosed |
| US-20020019371-A1 | New amino acid derivatives and their use as thrombin inhibitors | ASTRAZENECA AB | 2002-02-14 | — | — | US | disclosed |
| US-6255301-B1 | CARDIOVASCULAR DISORDERS; ANTICOAGULANT; PROTEASE INHIBITORS | ASTRAZENECA AB (SE) | 2001-07-03 | — | — | US | disclosed |
| CN-1226895-A | Amino acid derivatives and their use as thrombin inhibitors | ASTRA AB (SE) | 1999-08-25 | — | — | CN | disclosed |
| EP-0910573-A1 | NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | Astra Aktiebolag (SE) | 1999-04-28 | — | — | EP | disclosed |
| WO-1997046577-A1 | NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRA AKTIEBOLAG (SE) | 1997-12-11 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020019371-A1 | New amino acid derivatives and their use as thrombin inhibitors | F2, SERPINC1, FGB | ALDH1A1 4222/4885HPGD 2067/4885GRIA1 797/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.