Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3224732 | 0.80 | NLRP3 (0.44) | ALDH1A1NLRP3TSHRKMT2ASMN1; SMN2 | |
| SCHEMBL12499503 | 0.80 | ALDH1A1 (0.44) | ALDH1A1NLRP3TSHRKMT2AMEN1 | |
| SCHEMBL12499499 | 0.80 | ALDH1A1 (0.44) | ALDH1A1NLRP3TSHRKMT2AMEN1 | |
| SCHEMBL988882 | 0.80 | TSHR (0.48) | ALDH1A1NLRP3TSHRTDP1KMT2A | |
| SCHEMBL17857571 | 0.80 | ALDH1A1 (0.44) | ALDH1A1NLRP3TSHRKMT2AMEN1 | |
| SCHEMBL29960754 | 0.79 | ALDH1A1 (0.49) | ALDH1A1TSHRKMT2AMEN1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8618217 | 0.78 | IDO1 (0.44) | ALDH1A1NLRP3TSHRKMT2ASMN1; SMN2 | |
| SCHEMBL6522396 | 0.78 | SMN1; SMN2 (0.56) | ALDH1A1NLRP3TSHRTDP1KMT2A | |
| SCHEMBL8552393 | 0.78 | MAPT (0.46) | ALDH1A1KMT2ASMN1; SMN2GAAMAPT | |
| SCHEMBL18726494 | 0.77 | NLRP3 (0.46) | ALDH1A1NLRP3TSHRKMT2AMEN1 |
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-5140040-A | Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) | ABBOTT LABORATORIES (US) | 1992-08-18 | — | — | US | disclosed |
| US-5128362-A | Antidepressant, antiglaucoma | ABBOTT LABORATORIES (US) | 1992-07-07 | — | — | US | disclosed |
| US-5086074-A | Selective adrenergic receptor antagonists | ABBOTT LABORATORIES (US) | 1992-02-04 | — | — | US | disclosed |