Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.50 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16862955 | 0.85 | ALDH1A1 (0.60) | ALDH1A1LMNAGABRA2GABRB2F2RL3 | |
| SCHEMBL9256717 | 0.80 | BRD4 (0.52) | ALDH1A1SMN1; SMN2GAAP2RX7TSHR | |
| SCHEMBL31132944 | 0.79 | ALDH1A1 (0.53) | ALDH1A1LMNAGABRA2GABRB2F2RL3 | |
| SCHEMBL13437651 | 0.78 | CYP19A1 (0.61) | ALDH1A1LMNAGABRA2GABRB2F2RL3 | |
| SCHEMBL29339719 | 0.75 | ALDH1A1 (0.53) | ALDH1A1LMNAF2RL3KDM4ECYP19A1 | |
| SCHEMBL17241086 | 0.73 | P2RX7 (0.46) | ALDH1A1LMNAKDM4ECYP1A2SMN1; SMN2 | |
| SCHEMBL2117362 | 0.73 | MAPK1 (0.52) | ALDH1A1LMNAF2RL3KDM4ECYP19A1 | |
| SCHEMBL6801734 | 0.72 | KDM4E (0.49) | ALDH1A1LMNAGABRA2GABRB2KDM4E | |
| SCHEMBL27094252 | 0.72 | DGAT1 (0.45) | ALDH1A1GABRA2GABRB2KDM4ECYP1A2 | |
| SCHEMBL9248509 | 0.72 | LMNA (0.60) | ALDH1A1LMNAGABRA2GABRB2CYP19A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5395838-A | Aromatic aminomethyl substitutes compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1995-03-07 | — | — | US | disclosed |
| EP-0373891-B1 | Anti-tumour agents | ICI PLC (GB) | 1994-11-02 | — | — | EP | disclosed |
| US-5252573-A | Quinazoline derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-12 | — | — | US | disclosed |
| US-5089499-A | Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-02-18 | — | — | US | disclosed |
| EP-0373891-A2 | Anti-tumour agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-06-20 | — | — | EP | disclosed |