Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | PRKCG | P05129 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | BLK | P51451 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12602848 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HPGDESR1CHUKDAPK3 | |
| SCHEMBL12442273 | 0.93 | ALDH1A1 (0.39) | ALDH1A1HPGDESR1CHUKDAPK3 | |
| SCHEMBL15440898 | 0.91 | CHUK (0.40) | ALDH1A1HPGDESR1CHUKDAPK3 | |
| SCHEMBL12575447 | 0.87 | LMNA (0.38) | ALDH1A1HPGDESR1TSHRMCHR1 | |
| SCHEMBL27116248 | 0.82 | ALDH1A1 (0.42) | ALDH1A1HPGDESR1CHUKDAPK3 | |
| SCHEMBL14570401 | 0.82 | ESR1 (0.51) | ALDH1A1HPGDESR1CHUKDAPK3 | |
| SCHEMBL13475563 | 0.82 | ESR1 (0.51) | ALDH1A1HPGDESR1CHUKDAPK3 | |
| SCHEMBL862599 | 0.82 | ESR1 (0.51) | ALDH1A1HPGDESR1CHUKDAPK3 | |
| SCHEMBL13475571 | 0.82 | ESR1 (0.51) | ALDH1A1HPGDESR1CHUKDAPK3 | |
| SCHEMBL15200209 | 0.82 | ESR1 (0.51) | ALDH1A1HPGDESR1CHUKDAPK3 |
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-8198096-B2 | Sensor for detection of chemical warfare agents and explosives; polyacetylenes, polyarylenevinylenes; polymers contain hexafluoroisopropanol substituent | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2012-06-12 | — | — | US | disclosed |
| US-20070081921-A1 | Emissive polymers and devices incorporating these polymers | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2007-04-12 | — | — | US | disclosed |