Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 4/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | CCR9 | P51686 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28827060 | 0.85 | TDP1 (0.43) | TDP1TAAR1MEN1KMT2AKIF11 | |
| SCHEMBL506396 | 0.83 | ACHE (0.43) | TAAR1MEN1KMT2AACHEBCHE | |
| SCHEMBL9251309 | 0.80 | TAAR1 (0.43) | TAAR1ACHEBCHEHDAC4HDAC2 | |
| SCHEMBL30186510 | 0.80 | TAAR1 (0.67) | TDP1TAAR1MEN1KMT2AHDAC8 | |
| SCHEMBL2911870 | 0.80 | TAAR1 (0.67) | TAAR1KIF11HTR2AHTR2C | |
| SCHEMBL177514 | 0.80 | TAAR1 (0.67) | TDP1TAAR1MEN1KMT2AHDAC8 | |
| SCHEMBL475557 | 0.80 | TDP1 (0.46) | TDP1TAAR1MEN1KMT2AACHE | |
| SCHEMBL1653927 | 0.79 | KIF11 (0.49) | ACHEBCHEHDAC4HDAC2HDAC8 | |
| SCHEMBL30573009 | 0.79 | KIF11 (0.49) | ACHEBCHEHDAC4HDAC2HDAC8 | |
| SCHEMBL5433184 | 0.79 | ACHE (0.46) | TDP1TAAR1ACHEBCHEHDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2077986-A1 | NOVEL FRAGRANCE COMPOUNDS | Givaudan Nederland Services B.V. (NL) | 2009-07-15 | — | — | EP | disclosed |
| WO-2008053148-A1 | NOVEL FRAGRANCE COMPOUNDS | GIVAUDAN NEDERLAND SERVICES B.V. (NL) | 2008-05-08 | — | — | WO | disclosed |
| US-4178327-A | FIREPROOFING | THE DOW CHEMICAL COMPANY (US) | 1979-12-11 | — | — | US | disclosed |
| US-4054733-A | MOLDING MATERIALS | THE DOW CHEMICAL COMPANY (US) | 1977-10-18 | — | — | US | disclosed |