Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.48 |
| ▸ | SMO | Q99835 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5227063 | 0.87 | RAB9A (0.63) | PTGS2ALDH1A1HPGDKMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL5363354 | 0.81 | PTGS2 (0.60) | PTGS2ALDH1A1HPGDKMT2AKDM4E | |
| SCHEMBL5223497 | 0.79 | SMN1; SMN2 (0.54) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL9694192 | 0.77 | ALDH1A1 (0.61) | PTGS2ALDH1A1HPGDKMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL9695565 | 0.76 | ALDH1A1 (0.60) | PTGS2ALDH1A1HPGDKMT2AKDM4E | |
| Fr-122047 SCHEMBL9548128 | 0.72 | PTGS2 (1.00) | PTGS2ALDH1A1HPGDKMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL5023156 | 0.72 | ALDH1A1 (0.52) | PTGS2ALDH1A1HPGDKMT2AKDM4E | |
| SCHEMBL3943723 | 0.72 | NPC1 (0.60) | PTGS2ALDH1A1HPGDKMT2AKDM4E | |
| SCHEMBL10053023 | 0.72 | HPGD (0.75) | ALDH1A1HPGDTSHRNPC1MAPT | |
| Fr-122047 SCHEMBL9548002 | 0.71 | PTGS2 (0.98) | PTGS2ALDH1A1HPGDKMT2AKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1833822-A2 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | Theravance, Inc. (US) | 2007-09-19 | — | — | EP | disclosed |
| EP-1300399-B1 | PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME | KOWA CO (JP) | 2007-08-22 | — | — | EP | disclosed |
| WO-2006023460-A2 | COMPOUNDS HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE, INC. (US) | 2006-03-02 | — | — | WO | disclosed |
| US-6664256-B1 | Interleukin- 1 beta inhibitors | KOWA CO., LTD. (JP) | 2003-12-16 | — | — | US | disclosed |
| EP-1300399-A1 | PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME | Kowa Co., Ltd. (JP) | 2003-04-09 | — | — | EP | disclosed |