Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | YES1 | P07947 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GUSB | P08236 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ACP1 | P24666 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 2/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 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 | |
|---|---|---|---|---|
| SCHEMBL4632725 | 0.95 | TSHR (0.57) | TSHRHTTLMNANPC1ABCB1 | |
| SCHEMBL4631944 | 0.80 | TSHR (0.61) | TSHRHTTLMNANPC1ABCB1 | |
| SCHEMBL14279315 | 0.80 | TSHR (0.70) | TSHRHTTLMNANPC1ABCB1 | |
| SCHEMBL4825623 | 0.80 | TSHR (0.70) | TSHRHTTLMNANPC1ABCB1 | |
| SCHEMBL4633229 | 0.79 | TSHR (0.60) | TSHRHTTLMNANPC1ABCB1 | |
| SCHEMBL4832602 | 0.79 | TSHR (0.69) | TSHRHTTLMNANPC1ABCB1 | |
| SCHEMBL4832413 | 0.77 | TSHR (0.66) | TSHRHTTLMNANPC1ABCB1 | |
| SCHEMBL4632728 | 0.76 | TSHR (0.59) | TSHRHTTLMNANPC1ABCB1 | |
| SCHEMBL4830038 | 0.76 | HTT (0.65) | TSHRHTTLMNANPC1ABCB1 | |
| SCHEMBL6331255 | 0.76 | TSHR (0.61) | TSHRHTTLMNANPC1ABCB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1603884-A4 | PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. | ENCYSIVE PHARMACEUTICALS INC (US) | 2008-05-28 | — | — | EP | claimed |
| EP-1603884-A2 | PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. | ENCYSIVE PHARMACEUTICALS INC. (US) | 2005-12-14 | — | — | EP | claimed |
| WO-2004078114-A2 | PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. | ENCYSIVE PHARMACEUTICALS INC. (US) | 2004-09-16 | — | — | WO | claimed |