Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8111545 | 0.89 | GPR35 (0.36) | ALDH1A1GPR35CYP3A4AKR1B1 | |
| SCHEMBL6999227 | 0.85 | ALDH1A1 (0.41) | ALDH1A1HSD17B10GPR35LMNAHTT | |
| SCHEMBL7981459 | 0.78 | AKR1B1 (0.33) | AKR1B1 | |
| SCHEMBL6996429 | 0.75 | ALDH1A1 (0.40) | ALDH1A1HSD17B10CYP1A2CYP3A4ALOX15 | |
| SCHEMBL6999139 | 0.73 | AKR1B1 (0.39) | ALDH1A1GPR35LMNACYP1A2CYP3A4 | |
| SCHEMBL7003210 | 0.72 | KMT2A (0.48) | ALDH1A1HSD17B10CYP1A2CYP3A4ALOX15 | |
| SCHEMBL6999113 | 0.71 | ALDH1A1 (0.46) | ALDH1A1HSD17B10GPR35HTTCYP3A4 | |
| SCHEMBL7710726 | 0.70 | ALDH1A1 (0.45) | ALDH1A1HSD17B10GPR35LMNAHTT | |
| SCHEMBL20265314 | 0.69 | ALDH1A1 (0.44) | ALDH1A1HSD17B10GPR35ADRA2AADRA2B | |
| SCHEMBL16844142 | 0.66 | ALDH1A1 (0.38) | ALDH1A1HSD17B10GPR35LMNAADRA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015437-B1 | BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS | SCHERING AG (DE) | 2003-12-03 | — | — | EP | disclosed |
| US-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |