Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.30 |
| ▸ | TUBB | P07437 | 1/20 | 0.30 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.30 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.30 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.30 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.30 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.30 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.30 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.30 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.30 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7746343 | 0.76 | TNKS2 (0.40) | TUBB1CYP3A4MAPTHTR2AHTR2C | |
| SCHEMBL8939769 | 0.74 | LTA4H (0.42) | TUBB1MAPTTUBB4ATUBBTUBA3C | |
| SCHEMBL3338176 | 0.73 | PTGS2 (0.41) | PTGS2TUBB1ACHECYP3A4MAPT | |
| SCHEMBL6160386 | 0.73 | ABCB1 (0.44) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL8939758 | 0.72 | APP (0.41) | TUBB1CYP3A4HTR2ATUBB4ATUBB | |
| SCHEMBL2154014 | 0.71 | ACHE (0.41) | PTGS2TUBB1ACHECYP3A4MAPT | |
| SCHEMBL745028 | 0.71 | ACHE (0.36) | PTGS2ACHECYP3A4MAPTCA9 | |
| SCHEMBL7429582 | 0.71 | BCHE (0.40) | — | |
| SCHEMBL7746427 | 0.71 | HTR2A (0.42) | HTR2A | |
| SCHEMBL8939773 | 0.70 | KDM4E (0.41) | TUBB1MAPTTUBB4ATUBBTUBA3C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001010821-A1 | MULTIVALENT EXOCYCLIC DIKETO COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2001-02-15 | — | — | WO | disclosed |
| WO-2001010838-A1 | MULTIVALENT COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2001-02-15 | — | — | WO | disclosed |
| WO-2001010839-A2 | MULTIVALENT SUBSTITUTED KETOAMIDES AND AMIDES FOR TREATING HAIR LOSS | THE PROCTER & GAMBLE COMPANY (US) | 2001-02-15 | — | — | WO | disclosed |
| WO-2001010837-A1 | MULTIVALENT SULFONAMIDES | THE PROCTER & GAMBLE COMPANY (US) | 2001-02-15 | — | — | WO | disclosed |