Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | CTSV | O60911 | 4/20 | 0.43 |
| ▸ | CTSL | P07711 | 4/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL21199371 | 0.86 | CCNB2 (0.43) | HTR1AADRA1DADRA1AADRA1BPOLB | |
| SCHEMBL4286871 | 0.86 | POLB (0.50) | HTR1AADRA1DADRA1AADRA1BCTSV | |
| SCHEMBL8077523 | 0.77 | CYP19A1 (0.55) | HTR1AADRA1DADRA1AADRA1BCTSV | |
| SCHEMBL3874634 | 0.76 | MEN1 (0.39) | HTR1AADRA1DADRA1AADRA1BCTSV | |
| SCHEMBL10477773 | 0.76 | L3MBTL1 (0.43) | POLBMEN1KMT2AMAPTNPC1 | |
| SCHEMBL4947751 | 0.75 | MEN1 (0.42) | HTR1AADRA1DADRA1AADRA1BCTSV | |
| SCHEMBL27468143 | 0.74 | POLB (0.48) | HTR1AADRA1DADRA1AADRA1BCTSV | |
| SCHEMBL1447206 | 0.74 | CTSV (0.55) | CTSVCTSLPOLBPTGESMEN1 | |
| SCHEMBL1447138 | 0.73 | SGMS2 (0.47) | HTR1AADRA1DADRA1AADRA1BCTSV | |
| SCHEMBL3875000 | 0.73 | ALDH1A1 (0.45) | MAPT |
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-2027091-A1 | NEW PHARMACEUTICAL COMPOUNDS | BIAL - Portela & Ca., S.A. (PT) | 2009-02-25 | — | — | EP | disclosed |
| EP-1907382-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | Portela & C.A. S.A (PT) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007117165-A1 | NEW PHARMACEUTICAL COMPOUNDS | BIAL - PORTELA & CA, S.A. (PT) | 2007-10-18 | — | — | WO | disclosed |
| WO-2007013830-A1 | NITROCATECHOL DERIVATIVES AS COMT INHIBITORS | PORTELA & CA. S.A. (PT) | 2007-02-01 | — | — | WO | disclosed |