Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.39 |
| ▸ | RAB9A | P51151 | 7/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.39 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | BCL9 | O00512 | 2/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.39 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3657556 | 0.90 | HSP90AA1 (0.45) | NPC1RAB9ASMN1; SMN2KMT2ANFKB1 | |
| Trifluoroacetic Acid SCHEMBL3656228 | 0.88 | RAB9A (0.46) | NPC1RAB9ASMN1; SMN2KMT2AMAPT | |
| SCHEMBL3657580 | 0.88 | ESR1 (0.46) | RAB9AKMT2AHTTMAPTKCNK3 | |
| Trifluoroacetic Acid SCHEMBL3650438 | 0.87 | — | — | |
| Trifluoroacetic Acid SCHEMBL3659581 | 0.87 | CA12 (0.41) | NPC1RAB9ASMN1; SMN2KMT2AHTT | |
| Trifluoroacetic Acid SCHEMBL3657860 | 0.86 | RAB9A (0.39) | NPC1RAB9ASMN1; SMN2KMT2ANFKB1 | |
| Trifluoroacetic Acid SCHEMBL3656237 | 0.86 | MLYCD (0.41) | NPC1RAB9AKMT2AMEN1BCL9 | |
| Trifluoroacetic Acid SCHEMBL3705581 | 0.84 | KDM4E (0.40) | NPC1RAB9AKMT2AMAPTKDM4E | |
| SCHEMBL3655641 | 0.84 | MAPK14 (0.44) | NPC1RAB9ASMN1; SMN2HTTMAPT | |
| SCHEMBL3650124 | 0.84 | HSP90AA1 (0.50) | NPC1RAB9ASMN1; SMN2KMT2ANFKB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2212282-A1 | SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF | Sanofi-Aventis (FR) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009052065-A1 | SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2009-04-23 | — | — | WO | disclosed |