Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CDC25B | P30305 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CDC25A | P30304 | 1/20 | 0.42 |
| ▸ | CDC25C | P30307 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7679127 | 0.81 | KMT2A (0.41) | HSD17B10KMT2AALDH1A1NPC1RAB9A | |
| SCHEMBL7689755 | 0.80 | TSHR (0.46) | TSHRCDC25BHSD17B10TDP1CDC25A | |
| SCHEMBL7688128 | 0.79 | TSHR (0.45) | TSHRCDC25BHSD17B10TDP1CDC25A | |
| SCHEMBL7689901 | 0.78 | TSHR (0.44) | TSHRCDC25BHSD17B10KDM4ETDP1 | |
| SCHEMBL1077377 | 0.75 | NR4A2 (0.39) | TSHRHSD17B10KDM4EKMT2AALDH1A1 | |
| SCHEMBL25010273 | 0.74 | ADRA2A (0.46) | TSHRKDM4EKMT2ANPC1RAB9A | |
| SCHEMBL3011416 | 0.72 | NPC1 (0.44) | TSHRKMT2AALDH1A1HIF1ANPC1 | |
| SCHEMBL22800161 | 0.72 | CYP3A4 (0.38) | TSHRHSD17B10KDM4EALDH1A1NPC1 | |
| SCHEMBL7690871 | 0.71 | PIM1 (0.41) | KDM4E | |
| SCHEMBL11270794 | 0.71 | TSHR (0.66) | TSHRCDC25BHSD17B10KDM4EKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6362201-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS | MERCK & CO., INC. | 2002-03-26 | — | — | US | disclosed |
| WO-2000051607-A1 | 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |