Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | NOS1 | P29475 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.49 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.49 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.49 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | CTSV | O60911 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1673078 | 0.79 | CYP19A1 (0.76) | CYP19A1MAPTNOS1POLBMAOB | |
| SCHEMBL28389620 | 0.77 | CYP19A1 (0.59) | CYP19A1MAPTNOS1POLBMAOB | |
| SCHEMBL27277838 | 0.76 | CYP19A1 (0.58) | CYP19A1MAPTNOS1POLBMAOB | |
| SCHEMBL10172985 | 0.76 | CYP19A1 (0.58) | CYP19A1MAPTNOS1POLBMAOB | |
| SCHEMBL30917347 | 0.76 | CYP19A1 (0.60) | CYP19A1MAPTNOS1POLBMAOB | |
| SCHEMBL317330 | 0.76 | CYP19A1 (0.60) | CYP19A1MAPTNOS1POLBMAOB | |
| SCHEMBL12778277 | 0.76 | CYP19A1 (0.58) | CYP19A1MAPTNOS1POLBMAOB | |
| SCHEMBL397992 | 0.73 | MAPT (0.49) | MAPTNOS1POLBGRIA1GRIA2 | |
| SCHEMBL5828547 | 0.73 | CYP19A1 (0.55) | CYP19A1MAPTNOS1POLBMAOB | |
| SCHEMBL27885276 | 0.73 | HRH4 (0.61) | CYP19A1MAPTNOS1POLBMAOB |
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-5866589-A | Alkyl substituted piperadinyl and piperazinyl anti-AIDS compounds | PHARMACIA & UPJOHN COMPANY (US) | 1999-02-02 | — | — | US | disclosed |
| EP-0797576-A1 | ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 1997-10-01 | — | — | EP | disclosed |
| WO-1996018628-A1 | ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS | PHARMACIA & UPJOHN COMPANY (US) | 1996-06-20 | — | — | WO | disclosed |