Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SLC16A3 | O15427 | 4/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8973992 | 0.85 | ALDH1A1 (0.57) | AKR1C3ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL8973935 | 0.84 | PLAU (0.58) | ALDH1A1LMNAKAT6ANPC1RAB9A | |
| SCHEMBL18392260 | 0.80 | MCL1 (0.70) | ALDH1A1LMNAMCL1MEN1KMT2A | |
| SCHEMBL30076572 | 0.80 | MCL1 (0.70) | ALDH1A1LMNAMCL1MEN1KMT2A | |
| SCHEMBL7186113 | 0.77 | ALDH1A1 (0.47) | AKR1C3ALDH1A1LMNAKAT6ANPC1 | |
| SCHEMBL7513281 | 0.76 | HTR2C (0.47) | ALDH1A1LMNAKAT6ANPC1RAB9A | |
| SCHEMBL3872842 | 0.76 | POLB (0.53) | AKR1C3ALDH1A1LMNANPC1RAB9A | |
| SCHEMBL5928513 | 0.75 | AKR1C3 (0.47) | AKR1C3ALDH1A1LMNASLC16A3PTGES | |
| SCHEMBL7103484 | 0.74 | MEN1 (0.52) | ALDH1A1LMNAKAT6ANPC1RAB9A | |
| SCHEMBL8974735 | 0.74 | MCL1 (0.50) | AKR1C3ALDH1A1LMNAKAT6ANPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996039132-A1 | N,N-DISULFONYLATED AMINOBENZENE CARBOXYLIC ACIDS AND THE USE THEREOF AS THROMBIN INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1996-12-12 | — | — | WO | disclosed |
| US-5559150-A | ANTICOAGULANT, ANTITUMOR, ANTIINFLAMMATORY | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1996-09-24 | — | — | US | disclosed |
| WO-1996002517-A1 | SUBSTITUTED ARYLSULFONAMIDES, THEIR PREPARATION AND USE AS THROMBIN-INHIBITING MEDICAMENTS | DR. KARL THOMAE GMBH (DE) | 1996-02-01 | — | — | WO | disclosed |