Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.41 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.41 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17241125 | 0.94 | CYP1A2 (0.49) | CYP1A2ALDH1A1MAPK1GPR35TP53 | |
| SCHEMBL5368690 | 0.81 | AKR1C1 (0.49) | CYP1A2ALDH1A1MAPK1GPR35TSHR | |
| SCHEMBL27491469 | 0.81 | HSD17B10 (0.47) | CYP1A2ALDH1A1MAPK1TP53TSHR | |
| SCHEMBL17241250 | 0.81 | ALDH1A1 (0.47) | CYP1A2ALDH1A1MAPK1GPR35TP53 | |
| SCHEMBL30937544 | 0.76 | AKR1C1 (0.46) | CYP1A2ALDH1A1MAPK1GPR35TSHR | |
| SCHEMBL5369495 | 0.76 | AKR1C1 (0.46) | CYP1A2ALDH1A1MAPK1GPR35TSHR | |
| SCHEMBL3224174 | 0.76 | NPSR1 (0.55) | CYP1A2ALDH1A1TSHRMAPTNPSR1 | |
| SCHEMBL17241148 | 0.75 | CYP1A2 (0.52) | CYP1A2ALDH1A1MAPK1GPR35TP53 | |
| SCHEMBL6676255 | 0.75 | AKR1C1 (0.53) | CYP1A2ALDH1A1TP53TSHRSMN1; SMN2 | |
| SCHEMBL27256523 | 0.74 | BACE2 (0.38) | CYP1A2ALDH1A1TSHRSMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6124354-A | TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME | PHARMACIA & UPJOHN AB (SE) | 2000-09-26 | — | — | US | disclosed |
| EP-0923536-A1 | ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION | Pharmacia & Upjohn Aktiebolag (SE) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998004517-A1 | ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION | PHARMACIA & UPJOHN AB (SE) | 1998-02-05 | — | — | WO | disclosed |