Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | UBE2T | Q9NPD8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9124540 | 0.98 | ALDH1A1 (0.49) | ALDH1A1NOS1POLBCYP1A2CYP2C19 | |
| SCHEMBL369236 | 0.81 | TSHR (0.48) | ALDH1A1NOS1POLBCYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL6943796 | 0.79 | TSHR (0.47) | ALDH1A1NOS1POLBCYP1A2CYP2C19 | |
| SCHEMBL3185391 | 0.79 | NOS1 (0.42) | ALDH1A1NOS1CYP1A2CYP2C19MAPK1 | |
| SCHEMBL9123515 | 0.76 | POLB (0.45) | ALDH1A1NOS1POLBCYP1A2CYP2C19 | |
| SCHEMBL28859303 | 0.75 | ALDH1A1 (0.50) | ALDH1A1POLBCYP1A2CYP2C19MAPK1 | |
| Hydrochloric Acid SCHEMBL14786294 | 0.73 | ALDH1A1 (0.49) | ALDH1A1POLBCYP1A2CYP2C19MAPK1 | |
| SCHEMBL9125775 | 0.73 | TSHR (0.39) | ALDH1A1NOS1POLBCYP1A2CYP2C19 | |
| Acetic Acid SCHEMBL10353741 | 0.73 | TSHR (0.50) | ALDH1A1POLBCYP1A2CYP2C19MAPK1 | |
| Hydrochloric Acid SCHEMBL9121760 | 0.73 | KDM4E (0.42) | NOS1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-5453514-A | Diabetes | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1995-09-26 | — | — | US | disclosed |
| US-4183930-A | Amino derivatives of pyrazolo [1,5-a]s-triazine, and their therapeutic applications | ARON S.A. (FR) | 1980-01-15 | — | — | US | disclosed |