Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.33 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28089940 | 0.81 | CYP3A4 (0.39) | NPC1RAB9AKMT2ASMN1; SMN2TP53 | |
| SCHEMBL14250023 | 0.79 | PARP1 (0.37) | CYP3A4ALDH1A1TSHRGABRA1NFKB1 | |
| Hydrochloric Acid SCHEMBL1439124 | 0.78 | PARP1 (0.36) | CYP3A4ALDH1A1TSHRGABRA1NFKB1 | |
| SCHEMBL21084204 | 0.69 | — | — | |
| SCHEMBL4067921 | 0.69 | ALDH1A1 (0.34) | SMN1; SMN2CYP3A4ALDH1A1FKBP5 | |
| SCHEMBL13725534 | 0.68 | KMT2A (0.33) | KMT2ACYP3A4ALDH1A1TSHRKDM4E | |
| SCHEMBL24498322 | 0.61 | NNMT (0.41) | HDAC6HDAC1HDAC8 | |
| SCHEMBL4325442 | 0.61 | IDO1 (0.37) | CYP3A4ALDH1A1FKBP5 | |
| SCHEMBL27751556 | 0.61 | IDO1 (0.37) | CYP3A4ALDH1A1FKBP5 | |
| Bicarbonate SCHEMBL28123369 | 0.60 | KDM4C (0.41) | NPC1RAB9ASMN1; SMN2TP53CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8445501-B2 | Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines | TAKEDA GMBH (DE) | 2013-05-21 | — | — | US | disclosed |