Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 10/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | BRAF | P15056 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | SMO | Q99835 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3656630 | 0.91 | KCNK3 (0.40) | KDM4EMAPTHSD17B10ALDH1A1TP53 | |
| SCHEMBL3650124 | 0.86 | HSP90AA1 (0.50) | KDM4EMAPTALDH1A1HPGDTP53 | |
| SCHEMBL3657580 | 0.86 | ESR1 (0.46) | MAPK14MAPTBRAFRAF1RAB9A | |
| SCHEMBL3658339 | 0.84 | RAB9A (0.52) | KDM4EMAPTALDH1A1TP53TDP1 | |
| Trifluoroacetic Acid SCHEMBL3652245 | 0.84 | NPC1 (0.39) | KDM4EMAPTTP53RAB9ASMN1; SMN2 | |
| SCHEMBL3655153 | 0.82 | NPC1 (0.43) | MAPK14KDM4EMAPTALDH1A1ALOX15 | |
| SCHEMBL3652477 | 0.82 | ESR1 (0.45) | MAPK14RAB9ANPC1 | |
| Trifluoroacetic Acid SCHEMBL3657556 | 0.82 | HSP90AA1 (0.45) | KDM4EMAPTALDH1A1TP53RAB9A | |
| Trifluoroacetic Acid SCHEMBL3656228 | 0.80 | RAB9A (0.46) | MAPTALDH1A1BRAFTP53TDP1 | |
| Trifluoroacetic Acid SCHEMBL3650438 | 0.78 | — | — |
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 |