Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.34 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4762359 | 0.75 | CHRNB2 (0.38) | KDRCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL6859755 | 0.75 | MEN1 (0.48) | KDRCYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL4630887 | 0.71 | GSK3A (0.53) | KDRCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9445623 | 0.71 | SLC6A2 (0.62) | TGFBR1TGFBR2MKNK1MKNK2 | |
| SCHEMBL9445588 | 0.71 | SLC6A2 (0.59) | KDRCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7609190 | 0.70 | SLC6A2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL7857018 | 0.69 | GSK3A (0.51) | KDRCHRNB2CHRNB4CHRNA3CHRNA4 | |
| Benzene SCHEMBL29086472 | 0.68 | HSP90AA1 (0.44) | KDRCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL2086404 | 0.67 | — | — | |
| SCHEMBL7854417 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0417584-B1 | N-substituted-4-pyrimidinamines and -pyrimidindiamines, a process for their preparation and their use as medicaments | HOECHST MARION ROUSSEL INC (US) | 1998-02-04 | — | — | EP | claimed |
| US-4983608-A | Analgesics, cognition activators | HOECHST-ROUSSELL PHARMACEUTICALS, INC. (US) | 1991-01-08 | — | — | US | claimed |
| EP-0417584-B1 | N-substituted-4-pyrimidinamines and -pyrimidindiamines, a process for their preparation and their use as medicaments | HOECHST MARION ROUSSEL INC (US) | 1998-02-04 | — | — | EP | disclosed |
| US-5179204-A | Learning enhancement, analgesics | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1993-01-12 | — | — | US | disclosed |
| EP-0417584-A2 | N-substituted-4-pyrimidinamines and -pyrimidindiamines, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-03-20 | — | — | EP | disclosed |
| US-4983608-A | Analgesics, cognition activators | HOECHST-ROUSSELL PHARMACEUTICALS, INC. (US) | 1991-01-08 | — | — | US | disclosed |