Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | QPCT | Q16769 | 2/20 | 0.35 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL34474974 | 0.80 | NQO2 (0.42) | MMP12SRCCHEK1PIM1ABL1 | |
| SCHEMBL27180959 | 0.80 | NQO2 (0.42) | MMP12SRCCHEK1PIM1ABL1 | |
| SCHEMBL8404371 | 0.76 | PARP1 (0.43) | MMP12PARP1CHEK1PIM1RPS6KA3 | |
| SCHEMBL18033648 | 0.75 | CA12 (0.50) | BRD4QPCT | |
| Hydrochloric Acid SCHEMBL31004036 | 0.74 | LMNA (0.49) | SRCBRD4MAPTSMN1; SMN2QPCT | |
| Bromide SCHEMBL31066901 | 0.74 | CA12 (0.49) | BRD4QPCT | |
| SCHEMBL29209464 | 0.74 | BPTF (0.47) | BRD4MAPTSMN1; SMN2QPCT | |
| SCHEMBL18033647 | 0.74 | KDM4E (0.44) | BRD4MAPTQPCT | |
| SCHEMBL29579493 | 0.74 | BPTF (0.47) | BRD4MAPTSMN1; SMN2QPCT | |
| SCHEMBL20125038 | 0.73 | PARP1 (0.41) | PARP1CHEK1PIM1RPS6KA3MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5436240-A | Schizophrenia, Parkinson's disease, depression or hypotensive agents using tricyclic amines | THE UPJOHN COMPANY (US) | 1995-07-25 | — | — | US | disclosed |
| EP-0480939-B1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | UPJOHN CO (US) | 1995-01-25 | — | — | EP | disclosed |
| US-5273975-A | Heterocyclic amines having central nervous system activity | THE UPJOHN COMPANY (US) | 1993-12-28 | — | — | US | disclosed |
| EP-0480939-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. | UPJOHN CO (US) | 1992-04-22 | — | — | EP | disclosed |
| WO-1990015058-A1 | HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1990-12-13 | — | — | WO | disclosed |