Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.77 |
| ▸ | TSHR | P16473 | 3/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.77 |
| ▸ | APP | P05067 | 6/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | G6PD | P11413 | 1/20 | 0.42 |
| ▸ | CCR6 | P51684 | 1/20 | 0.42 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12679051 | 0.88 | ALDH1A1 (1.00) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL76217 | 0.88 | ALDH1A1 (1.00) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL13291025 | 0.86 | APP (0.61) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| Hydrochloric Acid SCHEMBL1450346 | 0.85 | ALDH1A1 (0.94) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL671950 | 0.85 | APP (0.73) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL14018284 | 0.81 | ALDH1A1 (0.85) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL10932875 | 0.81 | ALDH1A1 (0.85) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL5491719 | 0.80 | CYP3A4 (0.50) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| SCHEMBL13821789 | 0.79 | ALDH1A1 (0.81) | ALDH1A1TSHRCYP3A4MAPK1TDP1 | |
| Diphenylmethane SCHEMBL15033700 | 0.79 | ALDH1A1 (0.81) | ALDH1A1TSHRCYP3A4MAPK1TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5276037-A | Antiinflammatory agents, antiallergens | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-01-04 | — | — | US | disclosed |
| US-5272173-A | 5-lipoxygenase inhibitors | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-12-21 | — | — | US | disclosed |
| US-5225438-A | Lipoxygenase inhibitors for antiinflammatory agents or antiallergens | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-07-06 | — | — | US | disclosed |
| EP-0488602-A1 | Aryl derivatives | ZENECA LIMITED (GB) | 1992-06-03 | — | — | EP | disclosed |