Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.48 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7859971 | 0.86 | RAB9A (0.46) | RAB9AMAPTNPC1PKMLMNA | |
| SCHEMBL7362493 | 0.85 | RAB9A (0.50) | RAB9AMAPTNPC1PKMTBXAS1 | |
| SCHEMBL10731132 | 0.82 | TOP2A (0.52) | TOP2ARAB9ALMNAPOLBALDH1A1 | |
| SCHEMBL11829791 | 0.82 | BCL6 (0.55) | RAB9AMAPTNPC1PKMLMNA | |
| SCHEMBL537869 | 0.82 | TOP2A (0.62) | TOP2APOLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL7130173 | 0.80 | TOP2A (0.61) | TOP2APOLBALDH1A1 | |
| SCHEMBL9641365 | 0.80 | ALDH1A1 (0.51) | RAB9AMAPTNPC1PKMLMNA | |
| SCHEMBL3208241 | 0.79 | NPC1 (0.53) | RAB9ANPC1PKMTBXAS1LMNA | |
| SCHEMBL25528963 | 0.78 | LMNA (0.58) | RAB9AMAPTNPC1PKMLMNA | |
| SCHEMBL26240663 | 0.78 | KMT2A (0.54) | LMNAPOLBTSHRALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946165-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | claimed |
| EP-0946165-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-10-06 | — | — | EP | claimed |
| WO-1998018460-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-05-07 | — | — | WO | claimed |
| EP-0946165-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-0946165-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998018460-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-05-07 | — | — | WO | disclosed |