Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31055003 | 0.89 | PDPK1 (0.52) | PDPK1LOXL2HDAC2HDAC1HDAC3 | |
| SCHEMBL8864616 | 0.81 | CD44 (0.45) | PDPK1LOXL2HDAC2HDAC1HDAC3 | |
| SCHEMBL2248431 | 0.79 | PDPK1 (0.43) | PDPK1LOXL2HDAC2HDAC1HDAC3 | |
| SCHEMBL28972972 | 0.79 | PDPK1 (0.43) | PDPK1LOXL2HDAC2HDAC1HDAC3 | |
| SCHEMBL5712479 | 0.79 | HSP90AA1 (0.45) | PDPK1LOXL2HDAC2HDAC1HDAC3 | |
| SCHEMBL8221405 | 0.79 | PDPK1 (0.43) | PDPK1LOXL2HDAC2HDAC1HDAC3 | |
| SCHEMBL10873651 | 0.79 | ALDH1A1 (0.43) | PDPK1LOXL2HDAC2HDAC1HDAC3 | |
| Bromide SCHEMBL2363115 | 0.78 | HSP90AA1 (0.44) | PDPK1LOXL2HDAC2HDAC1HDAC3 | |
| SCHEMBL1848389 | 0.76 | PDPK1 (0.40) | PDPK1LOXL2HDAC2HDAC1HDAC3 | |
| SCHEMBL5085483 | 0.76 | SMPD3 (0.45) | PDPK1LOXL2HDAC2HDAC1HDAC3 |
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-5243047-A | Triazole/thiazole amino-s-triazine bonding agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-09-07 | — | — | US | disclosed |
| US-4978756-A | A 2-MERCAPTO, ALKYLANOYL, ALKENOYL OR ALKDIENOYL AMINO BENZOTHIOZOLE; METALS PROTECTIVE COATING; IMPROVED BONDING OF METALS AND RUBBER; TIRE CORDS | ICI AMERICAS INC. (US) | 1990-12-18 | — | — | US | disclosed |
| EP-0331279-A2 | Compound and use | ZENECA LIMITED (GB) | 1989-09-06 | — | — | EP | disclosed |
| EP-0285266-A2 | Metal treatment | ZENECA LIMITED (GB) | 1988-10-05 | — | — | EP | disclosed |