Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | POLQ | O75417 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21054410 | 0.78 | PTGS1 (0.45) | ALDH1A1HPGDHTTLMNAGAA | |
| SCHEMBL9892644 | 0.76 | PTGS2 (0.52) | ALDH1A1HPGDTHRATHRBFFAR4 | |
| SCHEMBL7945398 | 0.72 | CYP2C19 (0.41) | ALDH1A1HPGDFFAR4LMNAKDM4E | |
| SCHEMBL6987649 | 0.71 | HSD11B1 (0.41) | ALDH1A1HPGDTDP1 | |
| SCHEMBL12817256 | 0.71 | HSD11B1 (0.41) | ALDH1A1HPGDTDP1 | |
| SCHEMBL344491 | 0.71 | ALDH1A1 (0.56) | ALDH1A1HPGDAKR1C3AKR1C2KMO | |
| SCHEMBL28757846 | 0.71 | CXCL8 (0.41) | ALDH1A1HPGDPTGS2HTTLMNA | |
| SCHEMBL3416823 | 0.69 | HSD11B1 (0.41) | ALDH1A1HPGD | |
| SCHEMBL1450954 | 0.69 | AKR1B1 (0.50) | ALDH1A1HPGDTHRBMAPTHTT | |
| SCHEMBL197671 | 0.69 | HSD11B1 (0.56) | ALDH1A1HPGDPOLBTDP1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5641765-A | TREATS PROSTATIC ADENOCARCINOMA, BENIGN PROSTATE HYPERTROPHY; ANTAGONSIT, ANTAGONISM | SMITHKLINE BEECHAM CORPORATION (US) | 1997-06-24 | — | — | US | disclosed |
| US-5618806-A | STEROID 5ALPHA-REDUCTASE INHIBITOR; USEFUL FOR TREATING BENIGN PROSTATIC HYPERTROPHY, BALDNESS, ACNE, VULGURIS, SEBORRHEA, FEMALE HIRSUTISM, AND PROSTATIC ADENOCARCINOMA | SMITHKLINE BEECHAM CORPORATION | 1997-04-08 | — | — | US | disclosed |
| US-5527806-A | 17α and 17β substituted acyl 4 aza steroids | SMITHKLINE BEECHAM CORPORATION (US) | 1996-06-18 | — | — | US | disclosed |
| WO-1995028413-A1 | 17β-SUBSTITUTED 3-CARBOXY STEROIDS THAT INHIBIT 5-α-REDUCTASE | SMITHKLINE BEECHAM CORPORATION (US) | 1995-10-26 | — | — | WO | disclosed |
| EP-0669932-A4 | 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE. | SMITHKLINE BEECHAM CORP (US) | 1995-10-25 | — | — | EP | disclosed |
| EP-0638090-A4 | 17-g(a) AND 17-g(b)-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-CARBOXYLIC ACID. | SMITHKLINE BEECHAM CORP (US) | 1995-10-04 | — | — | EP | disclosed |
| EP-0669932-A1 | 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE | SMITHKLINE BEECHAM CORPORATION (US) | 1995-09-06 | — | — | EP | disclosed |
| EP-0641205-A4 | 17-g(a) AND 17-g(b) SUBSTITUTED ACYL 4 AZA STEROIDS. | SMITHKLINE BEECHAM CORP (US) | 1995-04-26 | — | — | EP | disclosed |
| EP-0641205-A1 | 17$g(a) AND 17$g(b) SUBSTITUTED ACYL 4 AZA STEROIDS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-03-08 | — | — | EP | disclosed |
| EP-0638090-A1 | 17$g(a) AND 17$g(b)-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-CARBOXYLIC ACID | SMITHKLINE BEECHAM CORPORATION (US) | 1995-02-15 | — | — | EP | disclosed |
| WO-1994011386-A1 | 17-ALPHA AND 17-BETA SUBSTITUTED ACYL-3-CARBOXY-3,5-DIENES AND USE IN INHIBITING 5-ALPHA-REDUCTASE | SMITHKLINE BEECHAM CORPORATION (US) | 1994-05-26 | — | — | WO | disclosed |
| WO-1993023042-A1 | 17α AND 17β SUBSTITUTED ACYL 4 AZA STEROIDS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-11-25 | — | — | WO | disclosed |
| WO-1993022333-A1 | 17α AND 17β-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE-3-CARBOXYLIC ACID | SMITHKLINE BEECHAM CORPORATION (US) | 1993-11-11 | — | — | WO | disclosed |