Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RBP4 | P02753 | 3/20 | 0.40 |
| ▸ | ACP1 | P24666 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7683193 | 0.75 | C1R (0.42) | CRHR1ALDH1A1 | |
| SCHEMBL1935074 | 0.74 | CYP1A2 (0.40) | CRHR1ALDH1A1TSHRACP1CYP1A2 | |
| SCHEMBL805589 | 0.73 | HSD11B1 (0.51) | CRHR1ALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL17479870 | 0.72 | HDAC6 (0.45) | ALDH1A1TSHRACP1CYP1A2CYP2D6 | |
| SCHEMBL7687275 | 0.71 | CRHR1 (0.43) | CRHR1 | |
| SCHEMBL1768874 | 0.70 | ACP1 (0.46) | ALDH1A1TSHRACP1CYP1A2CYP2D6 | |
| SCHEMBL30454780 | 0.70 | ACP1 (0.46) | ALDH1A1TSHRACP1CYP1A2CYP2D6 | |
| SCHEMBL9737393 | 0.70 | ALDH1A1 (0.43) | CRHR1ALDH1A1TSHRRBP4 | |
| SCHEMBL1935076 | 0.68 | CYP1A2 (0.40) | ALDH1A1TSHRACP1CYP1A2CYP2D6 | |
| SCHEMBL2093130 | 0.67 | ESR1 (0.38) | ALDH1A1TSHRACP1CYP1A2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6342503-B1 | ANTIDEPRESSANTS, EATING DISORDERS | DUPONT PHARMACEUTICALS COMPANY | 2002-01-29 | — | — | US | disclosed |
| US-6107301-A | PSYCHOLOGICAL DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-08-22 | — | — | US | disclosed |
| WO-1995010506-A1 | 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-04-20 | — | — | WO | disclosed |