Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | PKM | P14618 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | CRHBP | P24387 | 1/20 | 0.60 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | CASP6 | P55212 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1981486 | 0.94 | KMT2A (0.67) | TSHRKMT2AALDH1A1MAPTPKM | |
| SCHEMBL177231 | 0.87 | TSHR (1.00) | TSHRKMT2AALDH1A1MAPTRAB9A | |
| SCHEMBL30668892 | 0.87 | TSHR (1.00) | TSHRKMT2AALDH1A1MAPTRAB9A | |
| 4-Chloro-3-Nitrobenzoic Acid SCHEMBL7843735 | 0.86 | KMT2A (0.58) | TSHRKMT2AALDH1A1MAPTPKM | |
| Ammonia Solution, Strong SCHEMBL27660564 | 0.85 | TSHR (0.96) | TSHRKMT2AALDH1A1MAPTRAB9A | |
| Hydrochloric Acid SCHEMBL11517993 | 0.85 | TSHR (0.96) | TSHRKMT2AALDH1A1MAPTRAB9A | |
| SCHEMBL7941824 | 0.84 | KMT2A (0.62) | TSHRKMT2AALDH1A1MAPTPKM | |
| Hydrochloric Acid SCHEMBL11776974 | 0.83 | TSHR (0.57) | TSHRKMT2AALDH1A1MAPTPKM | |
| Hydrochloric Acid SCHEMBL11780689 | 0.83 | KMT2A (0.61) | TSHRKMT2AALDH1A1MAPTPKM | |
| SCHEMBL5262777 | 0.83 | KMT2A (0.55) | TSHRKMT2AALDH1A1MAPTPKM |
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-2509980-A1 | HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE | Boehringer Ingelheim International GmbH (DE) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011071716-A1 | HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-06-16 | — | — | WO | disclosed |